SIMILAR PATTERNS OF AMINO ACIDS FOR 1K6C_B_MK1B902_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)

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	Hit	Macromolecule/ Organism	Pfam	Res.	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1cu1	PROTEIN (PROTEASE/HELICASE NS3) (Hepacivirus C)	PF02907 (Peptidase_S29) PF07652 (Flavi_DEAD)	5	ARG A 464 VAL A 389 GLY A 404 ILE A 403 VAL A 408	None	0.98A	1k6cB-1cu1A: undetectable	1k6cB-1cu1A: 9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1hci	ALPHA-ACTININ 2 (Homo sapiens)	PF00435 (Spectrin)	5	GLY A 534 ALA A 535 ASP A 538 VAL A 618 VAL A 614	None	0.90A	1k6cB-1hciA: undetectable	1k6cB-1hciA: 13.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ASP A 25 ALA A 28 ASP A 29 GLY A 48 PRO A 81	A79 A 800 (-2.8A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 (-4.1A) A79 A 800 ( 3.4A)	0.98A	1k6cB-1hvcA: 14.2	1k6cB-1hvcA: 46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81	A79 A 800 (-2.7A) A79 A 800 (-3.0A) A79 A 800 (-3.1A) A79 A 800 (-2.8A) A79 A 800 ( 4.9A) A79 A 800 ( 4.4A) A79 A 800 ( 3.7A) A79 A 800 (-3.8A) A79 A 800 ( 3.9A)	0.59A	1k6cB-1hvcA: 14.2	1k6cB-1hvcA: 46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1hvc	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81	A79 A 800 (-2.8A) A79 A 800 (-3.0A) A79 A 800 (-3.2A) A79 A 800 (-2.7A) A79 A 800 ( 4.7A) A79 A 800 ( 4.3A) A79 A 800 (-3.4A) A79 A 800 ( 4.0A) A79 A 800 ( 3.4A)	0.47A	1k6cB-1hvcA: 14.2	1k6cB-1hvcA: 46.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1j2b	ARCHAEOSINE TRNA-GUANINE TRANSGLYCOSYLASE (Pyrococcus horikoshii)	PF01472 (PUA) PF01702 (TGT) PF14809 (TGT_C1) PF14810 (TGT_C2)	5	ASP A 535 GLY A 537 ASP A 542 GLY A 449 PRO A 504	None	0.87A	1k6cB-1j2bA: undetectable	1k6cB-1j2bA: 10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1knr	L-ASPARTATE OXIDASE (Escherichia coli)	PF00890 (FAD_binding_2) PF02910 (Succ_DH_flav_C)	5	GLY A 181 ALA A 182 ASP A 164 THR A 160 VAL A 184	None	0.96A	1k6cB-1knrA: undetectable	1k6cB-1knrA: 11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ocm	MALONAMIDASE E2 (Bradyrhizobium japonicum)	PF01425 (Amidase)	6	GLY A 142 ALA A 141 GLY A 164 PRO A 128 THR A 118 VAL A 36	None	1.18A	1k6cB-1ocmA: undetectable	1k6cB-1ocmA: 15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ofu	CELL DIVISION PROTEIN FTSZ (Pseudomonas aeruginosa)	PF00091 (Tubulin) PF12327 (FtsZ_C)	5	GLY A 192 ALA A 193 GLY A 227 PRO A 165 THR A 133	None None None None GDP A1318 ( 4.9A)	0.94A	1k6cB-1ofuA: undetectable	1k6cB-1ofuA: 15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ogo	DEXTRANASE (Talaromyces minioluteus)	PF03718 (Glyco_hydro_49) PF17433 (Glyco_hydro_49N)	6	ALA X 397 ASP X 395 GLY X 458 ILE X 457 PRO X 489 THR X 443	None GLC X1576 (-2.7A) None None None None	1.34A	1k6cB-1ogoX: undetectable	1k6cB-1ogoX: 13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1php	3-PHOSPHOGLYCERATE KINASE (Geobacillus stearothermophilus)	PF00162 (PGK)	5	ASP A 294 GLY A 330 VAL A 280 THR A 278 VAL A 267	None	0.96A	1k6cB-1phpA: undetectable	1k6cB-1phpA: 17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1pl8	HUMAN SORBITOL DEHYDROGENASE (Homo sapiens)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 167 VAL A 177 GLY A 160 ILE A 161 VAL A 175	None	0.97A	1k6cB-1pl8A: undetectable	1k6cB-1pl8A: 14.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32	None	0.35A	1k6cB-1q9pA: 10.8	1k6cB-1q9pA: 91.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1q9p	HIV-1 PROTEASE (Homo sapiens)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 30 VAL A 32 PRO A 81	None	0.91A	1k6cB-1q9pA: 10.8	1k6cB-1q9pA: 91.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1quu	HUMAN SKELETAL MUSCLE ALPHA-ACTININ 2 (Homo sapiens)	PF00435 (Spectrin)	5	GLY A 147 ALA A 148 ASP A 151 VAL A 231 VAL A 227	None	0.95A	1k6cB-1quuA: undetectable	1k6cB-1quuA: 14.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	6	ARG A 8 ASP A 25 ALA A 28 ASP A 29 GLY A 49 ILE A 50	None	1.42A	1k6cB-1sivA: 18.4	1k6cB-1sivA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	None	0.43A	1k6cB-1sivA: 18.4	1k6cB-1sivA: 49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	1siv	SIV PROTEASE (Simian immunodeficiency virus)	PF00077 (RVP)	7	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 GLY A 48 PRO A 81	None	0.91A	1k6cB-1sivA: 18.4	1k6cB-1sivA: 49.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1u3t	ALCOHOL DEHYDROGENASE ALPHA CHAIN (Homo sapiens)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	ALA A 156 VAL A 36 ILE A 90 THR A 150 VAL A 152	None	0.97A	1k6cB-1u3tA: undetectable	1k6cB-1u3tA: 13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1v5f	PYRUVATE OXIDASE (Aerococcus viridans)	PF00205 (TPP_enzyme_M) PF02775 (TPP_enzyme_C) PF02776 (TPP_enzyme_N)	5	GLY A 390 ASP A 442 VAL A 466 GLY A 418 ILE A 419	TPP A1602 ( 3.9A) MG A1603 ( 2.8A) None None None	0.98A	1k6cB-1v5fA: undetectable	1k6cB-1v5fA: 10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1w5d	PENICILLIN-BINDING PROTEIN (Bacillus subtilis)	PF02113 (Peptidase_S13)	5	GLY A 247 ALA A 246 GLY A 271 ILE A 126 THR A 74	None	0.98A	1k6cB-1w5dA: undetectable	1k6cB-1w5dA: 12.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1w8j	MYOSIN VA (Gallus gallus)	PF00063 (Myosin_head)	5	GLY A 236 ALA A 237 GLY A 434 ILE A 433 VAL A 196	None	0.92A	1k6cB-1w8jA: undetectable	1k6cB-1w8jA: 9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1x44	MYOSIN-BINDING PROTEIN C, SLOW-TYPE (Homo sapiens)	PF07679 (I-set)	5	ALA A 36 ASP A 35 ASP A 34 ILE A 57 VAL A 31	None	0.96A	1k6cB-1x44A: undetectable	1k6cB-1x44A: 19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ytq	BETA CRYSTALLIN B2 (Homo sapiens)	PF00030 (Crystall)	5	ASP A 125 ASP A 126 VAL A 128 ILE A 109 VAL A 186	None	0.85A	1k6cB-1ytqA: undetectable	1k6cB-1ytqA: 18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1zxq	INTERCELLULAR ADHESION MOLECULE-2 (Homo sapiens)	PF03921 (ICAM_N)	5	GLY A 103 ALA A 155 ASP A 156 ASP A 159 VAL A 100	None	0.96A	1k6cB-1zxqA: undetectable	1k6cB-1zxqA: 21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2dfs	MYOSIN-5A (Gallus gallus)	PF00063 (Myosin_head) PF00612 (IQ)	5	GLY A 236 ALA A 237 GLY A 434 ILE A 433 VAL A 196	None	0.90A	1k6cB-2dfsA: undetectable	1k6cB-2dfsA: 7.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2dpm	PROTEIN (ADENINE-SPECIFIC METHYLTRANSFERASE DPNII 1) (Streptococcus pneumoniae)	PF02086 (MethyltransfD12)	5	GLY A 233 ALA A 234 ASP A 189 VAL A 191 VAL A 236	None	0.92A	1k6cB-2dpmA: undetectable	1k6cB-2dpmA: 18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	6	ARG A 8 ASP A 25 GLY A 27 ASP A 29 GLY A 55 PRO A 86	LP1 A 201 (-3.5A) LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.6A) LP1 A 201 (-3.4A) LP1 A 201 (-3.9A)	0.64A	1k6cB-2fmbA: 15.2	1k6cB-2fmbA: 31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 54	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.6A)	0.84A	1k6cB-2fmbA: 15.2	1k6cB-2fmbA: 31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2fmb	EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE (Equine infectious anemia virus)	PF00077 (RVP)	7	ASP A 25 GLY A 27 ALA A 28 ASP A 29 VAL A 32 GLY A 55 PRO A 86	LP1 A 201 (-2.3A) LP1 A 201 (-3.8A) LP1 A 201 (-3.5A) LP1 A 201 (-3.6A) None LP1 A 201 (-3.4A) LP1 A 201 (-3.9A)	0.31A	1k6cB-2fmbA: 15.2	1k6cB-2fmbA: 31.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2isq	CYSTEINE SYNTHASE (Arabidopsis thaliana)	PF00291 (PALP)	5	GLY A 190 ALA A 189 GLY A 183 ILE A 180 PRO A 296	None None PLP A 400 (-3.4A) PLP A 400 (-4.9A) PLP A 400 (-4.0A)	0.65A	1k6cB-2isqA: undetectable	1k6cB-2isqA: 17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2j6l	ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1 (Homo sapiens)	PF00171 (Aldedh)	5	GLY A 231 VAL A 259 GLY A 162 ILE A 163 VAL A 255	NAI A1501 (-3.4A) None None None None	0.89A	1k6cB-2j6lA: undetectable	1k6cB-2j6lA: 11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2jex	REGULATORY PROTEIN E2 (Deltapapillomavirus 4)	PF00508 (PPV_E2_N)	5	GLY A 151 ALA A 152 ASP A 153 VAL A 119 VAL A 117	None	0.81A	1k6cB-2jexA: undetectable	1k6cB-2jexA: 15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2jg7	ANTIQUITIN (Acanthopagrus schlegelii)	PF00171 (Aldedh)	5	GLY A 229 VAL A 257 GLY A 160 ILE A 161 VAL A 253	NAD A1510 (-3.4A) None None None None	0.87A	1k6cB-2jg7A: undetectable	1k6cB-2jg7A: 13.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2jqv	AIG2 PROTEIN-LIKE (Arabidopsis thaliana)	PF06094 (GGACT)	5	GLY A 64 ALA A 36 VAL A 102 ILE A 67 VAL A 93	None	0.98A	1k6cB-2jqvA: undetectable	1k6cB-2jqvA: 18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2nlz	CEPHALOSPORIN ACYLASE (Bacillus halodurans)	PF01019 (G_glu_transpept)	5	GLY A 512 ASP A 467 GLY A 526 ILE A 515 VAL A 451	None	0.94A	1k6cB-2nlzA: undetectable	1k6cB-2nlzA: 12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2qe6	UNCHARACTERIZED PROTEIN TFU_2867 (Thermobifida fusca)	PF04672 (Methyltransf_19)	5	ASP A 110 GLY A 86 ASP A 82 VAL A 136 GLY A 164	SAM A 400 (-2.7A) SAM A 400 ( 3.2A) None SAM A 400 (-3.8A) SAM A 400 (-3.5A)	0.98A	1k6cB-2qe6A: undetectable	1k6cB-2qe6A: 17.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	AB1 A 501 ( 4.7A) AB1 A 501 (-2.4A) AB1 A 501 (-3.9A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-3.8A) AB1 A 501 (-3.5A) AB1 A 501 (-3.8A) AB1 A 501 (-4.2A)	0.54A	1k6cB-2rkfA: 20.9	1k6cB-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rkf	PROTEASE RETROPEPSIN (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ASP A 25 ALA A 28 ASP A 29 GLY A 48 PRO A 81	AB1 A 501 (-2.4A) AB1 A 501 (-3.5A) AB1 A 501 ( 3.3A) AB1 A 501 (-4.2A) AB1 A 501 (-4.2A)	0.88A	1k6cB-2rkfA: 20.9	1k6cB-2rkfA: 82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	2rsp	RSV PROTEASE (Rous sarcoma virus)	PF00077 (RVP)	5	ARG A 10 ASP A 37 GLY A 39 ALA A 40 ASP A 41	None	0.79A	1k6cB-2rspA: 13.0	1k6cB-2rspA: 32.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3al0	GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE SUBUNIT A (Thermotoga maritima)	PF01425 (Amidase)	5	GLY A 152 ALA A 151 GLY A 174 THR A 128 VAL A 40	None	0.90A	1k6cB-3al0A: undetectable	1k6cB-3al0A: 13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3bi3	ALPHA-KETOGLUTARATE- DEPENDENT DIOXYGENASE ALKB (Escherichia coli)	PF13532 (2OG-FeII_Oxy_2)	5	ARG A 183 GLY A 108 ALA A 107 VAL A 175 VAL A 177	None	0.94A	1k6cB-3bi3A: undetectable	1k6cB-3bi3A: 17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3dlc	PUTATIVE S-ADENOSYL-L-METHION INE-DEPENDENT METHYLTRANSFERASE (Methanococcus maripaludis)	PF08241 (Methyltransf_11)	5	ASP A 72 GLY A 52 ASP A 48 VAL A 101 GLY A 118	SAM A 220 (-2.9A) SAM A 220 (-3.2A) SAM A 220 ( 4.9A) SAM A 220 ( 4.2A) SAM A 220 (-4.7A)	0.93A	1k6cB-3dlcA: undetectable	1k6cB-3dlcA: 18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3g7k	3-METHYLITACONATE ISOMERASE (Eubacterium barkeri)	PF04303 (PrpF)	5	GLY A 312 VAL A 177 ILE A 349 THR A 169 VAL A 201	None	0.94A	1k6cB-3g7kA: undetectable	1k6cB-3g7kA: 12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3i5g	MYOSIN HEAVY CHAIN ISOFORM A (Doryteuthis pealeii)	PF00063 (Myosin_head) PF00612 (IQ) PF02736 (Myosin_N)	5	GLY A 264 ALA A 265 ASP A 266 GLY A 460 ILE A 459	None	0.78A	1k6cB-3i5gA: undetectable	1k6cB-3i5gA: 8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ip1	ALCOHOL DEHYDROGENASE, ZINC-CONTAINING (Thermotoga maritima)	PF00107 (ADH_zinc_N) PF08240 (ADH_N)	5	GLY A 235 ALA A 236 GLY A 208 ILE A 203 VAL A 239	None	0.83A	1k6cB-3ip1A: undetectable	1k6cB-3ip1A: 12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3kgy	BIFUNCTIONAL DEAMINASE-REDUCTASE DOMAIN PROTEIN (Chloroflexus aurantiacus)	PF01872 (RibD_C)	5	ARG A 147 GLY A 83 GLY A 89 PRO A 99 VAL A 104	None NDP A 301 (-3.5A) EDO A 215 (-3.3A) None None	0.98A	1k6cB-3kgyA: undetectable	1k6cB-3kgyA: 14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3ktn	CARBOHYDRATE KINASE, PFKB FAMILY (Enterococcus faecalis)	PF00294 (PfkB)	5	VAL A 320 GLY A 287 ILE A 284 THR A 318 VAL A 323	None	0.99A	1k6cB-3ktnA: undetectable	1k6cB-3ktnA: 16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3lp6	PHOSPHORIBOSYLAMINOI MIDAZOLE CARBOXYLASE CATALYTIC SUBUNIT (Mycobacterium tuberculosis)	PF00731 (AIRC)	5	GLY A 71 ALA A 70 ASP A 19 GLY A 122 ILE A 121	FMT A 175 (-4.1A) FMT A 175 ( 4.3A) FMT A 175 (-3.5A) None None	0.96A	1k6cB-3lp6A: undetectable	1k6cB-3lp6A: 18.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 48 PRO A 81	None	0.92A	1k6cB-3mwsA: 19.5	1k6cB-3mwsA: 74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3mws	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81	None	0.60A	1k6cB-3mwsA: 19.5	1k6cB-3mwsA: 74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3nec	INFLAMMATORY PROFILIN (Toxoplasma gondii)	PF00235 (Profilin)	5	GLY A 41 ALA A 35 ASP A 5 ILE A 133 VAL A 13	None	0.88A	1k6cB-3necA: undetectable	1k6cB-3necA: 20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3opq	PHOSPHORIBOSYLAMINOI MIDAZOLE CARBOXYLASE,CATALYTI C SUBUNIT (Francisella tularensis)	PF00731 (AIRC)	5	GLY A 66 ALA A 65 ASP A 14 GLY A 117 ILE A 116	PO4 A 164 (-3.7A) PO4 A 164 (-3.3A) PO4 A 164 (-2.8A) FMT A 166 (-3.3A) None	0.99A	1k6cB-3opqA: undetectable	1k6cB-3opqA: 20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	ASP A 32 GLY A 34 ALA A 35 VAL A 39 GLY A 56	3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-3.4A)	0.55A	1k6cB-3slzA: 11.2	1k6cB-3slzA: 26.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3slz	GAG-PRO-POL POLYPROTEIN (Murine leukemia virus)	PF00077 (RVP)	5	ASP A 32 GLY A 34 ALA A 35 VAL A 39 PRO A 89	3TL A 126 (-2.4A) 3TL A 126 (-3.1A) 3TL A 126 ( 4.0A) None 3TL A 126 (-4.0A)	0.71A	1k6cB-3slzA: 11.2	1k6cB-3slzA: 26.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 VAL A 84	SO4 A 101 (-3.8A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None 017 A 201 (-4.0A) 017 A 201 (-3.3A) None	0.69A	1k6cB-3t3cA: 18.5	1k6cB-3t3cA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3t3c	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 PRO A 81 VAL A 84	SO4 A 101 (-3.8A) 017 A 201 (-2.6A) 017 A 201 (-3.4A) 017 A 201 (-3.5A) 017 A 201 (-3.5A) 017 A 201 (-4.2A) None 017 A 201 (-4.0A) None None	0.77A	1k6cB-3t3cA: 18.5	1k6cB-3t3cA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3ttp	HIV-1 PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	017 A 201 ( 4.8A) 017 A 201 (-2.6A) 017 A 201 (-3.6A) 017 A 201 (-3.4A) 017 A 201 (-3.3A) 017 A 201 (-4.6A) 017 A 201 (-3.0A) 017 A 201 (-3.3A) 017 A 201 (-4.1A)	0.55A	1k6cB-3ttpA: 19.5	1k6cB-3ttpA: 77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ARG A 8 ASP A 25 ALA A 28 ASP A 30 GLY A 49 PRO A 81	None 017 A 202 ( 2.5A) 017 A 201 (-3.4A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 202 (-4.0A)	1.47A	1k6cB-3u7sA: 19.8	1k6cB-3u7sA: 80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3u7s	POL POLYPROTEIN (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81 VAL A 84	None 017 A 202 ( 2.5A) 017 A 201 ( 3.5A) 017 A 201 (-3.4A) 017 A 201 (-3.2A) 017 A 201 ( 4.0A) 017 A 202 (-2.9A) 017 A 201 ( 3.5A) 017 A 202 (-4.0A) None	0.57A	1k6cB-3u7sA: 19.8	1k6cB-3u7sA: 80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	3uhl	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ASP A 25 GLY A 27 ALA A 28 ASP A 29 PRO A 81 VAL A 84	None	0.40A	1k6cB-3uhlA: 16.1	1k6cB-3uhlA: 79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3uxm	THYMIDYLATE KINASE (Pseudomonas aeruginosa)	PF02223 (Thymidylate_kin)	5	GLY A 187 ALA A 186 ASP A 136 GLY A 142 THR A 18	None	0.95A	1k6cB-3uxmA: undetectable	1k6cB-3uxmA: 19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3w2i	NADH-CYTOCHROME B5 REDUCTASE 3 (Sus scrofa)	PF00175 (NAD_binding_1) PF00970 (FAD_binding_6)	5	ASP A 72 ASP A 73 GLY A 43 ILE A 5 PRO A 36	None	0.96A	1k6cB-3w2iA: undetectable	1k6cB-3w2iA: 16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3wxo	CATALASE-PEROXIDASE (Synechococcus elongatus)	PF00141 (peroxidase)	5	GLY A 616 VAL A 533 GLY A 610 ILE A 609 VAL A 463	None	0.99A	1k6cB-3wxoA: undetectable	1k6cB-3wxoA: 10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4d1e	ALPHA-ACTININ-2 (Homo sapiens)	PF00307 (CH) PF00435 (Spectrin) PF08726 (EFhand_Ca_insen)	5	GLY A 534 ALA A 535 ASP A 538 VAL A 618 VAL A 614	None	0.96A	1k6cB-4d1eA: undetectable	1k6cB-4d1eA: 8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4grd	PHOSPHORIBOSYLAMINOI MIDAZOLE CARBOXYLASE CATALYTIC SUBUNIT (Burkholderia cenocepacia)	PF00731 (AIRC)	5	GLY A 77 ALA A 76 ASP A 25 GLY A 128 ILE A 127	None	0.99A	1k6cB-4grdA: undetectable	1k6cB-4grdA: 19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ir8	SEDOHEPTULOSE-1,7 BISPHOSPHATASE, PUTATIVE (Toxoplasma gondii)	PF00316 (FBPase)	6	ASP A 184 GLY A 197 VAL A 167 GLY A 180 ILE A 200 VAL A 166	None	1.50A	1k6cB-4ir8A: undetectable	1k6cB-4ir8A: 14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jig	DEHYDROGENASE (Burkholderia cenocepacia)	PF13561 (adh_short_C2)	5	GLY A 120 ALA A 121 GLY A 94 ILE A 95 VAL A 169	None None None GOL A 303 (-4.8A) None	0.99A	1k6cB-4jigA: undetectable	1k6cB-4jigA: 16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4jq9	DIHYDROLIPOYL DEHYDROGENASE (Escherichia coli)	PF02852 (Pyr_redox_dim) PF07992 (Pyr_redox_2)	5	GLY A 182 GLY A 191 ILE A 201 THR A 223 VAL A 210	None	0.93A	1k6cB-4jq9A: undetectable	1k6cB-4jq9A: 12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4kkm	POLYPRENYL SYNTHETASE (Zymomonas mobilis)	PF00348 (polyprenyl_synt)	5	ALA A 224 ASP A 225 ASP A 226 GLY A 218 ILE A 217	None	0.94A	1k6cB-4kkmA: undetectable	1k6cB-4kkmA: 19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4kws	D-MANNONATE DEHYDRATASE (Chromohalobacter salexigens)	PF02746 (MR_MLE_N) PF13378 (MR_MLE_C)	5	GLY A 34 ALA A 90 GLY A 294 ILE A 295 THR A 68	None	0.96A	1k6cB-4kwsA: undetectable	1k6cB-4kwsA: 13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4mpt	PUTATIVE LEU/ILE/VAL-BINDING PROTEIN (Bordetella pertussis)	PF13458 (Peripla_BP_6)	5	ALA A 308 VAL A 31 GLY A 75 ILE A 76 VAL A 27	None	0.94A	1k6cB-4mptA: undetectable	1k6cB-4mptA: 16.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ARG A 8 ASP A 25 GLY A 27 VAL A 32 GLY A 49 ILE A 50 THR A 82	RIT A 500 (-3.2A) RIT A 500 (-2.4A) RIT A 500 (-3.9A) None RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-3.5A)	0.74A	1k6cB-4njvA: 20.5	1k6cB-4njvA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	7	ASP A 25 ALA A 28 ASP A 29 ASP A 30 GLY A 48 PRO A 81 THR A 82	RIT A 500 (-2.4A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) RIT A 500 (-4.8A) RIT A 500 (-3.9A) RIT A 500 (-3.5A)	0.84A	1k6cB-4njvA: 20.5	1k6cB-4njvA: 86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4njv	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	10	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81 THR A 82	RIT A 500 (-2.4A) RIT A 500 (-3.9A) RIT A 500 (-3.6A) RIT A 500 (-3.2A) RIT A 500 (-4.8A) None RIT A 500 (-3.4A) RIT A 500 (-4.3A) RIT A 500 (-3.9A) RIT A 500 (-3.5A)	0.64A	1k6cB-4njvA: 20.5	1k6cB-4njvA: 86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4pcg	VP1 (Human polyomavirus 6)	PF00718 (Polyoma_coat)	6	ALA A 194 ASP A 195 ASP A 144 VAL A 182 GLY A 147 PRO A 188	None	1.48A	1k6cB-4pcgA: undetectable	1k6cB-4pcgA: 16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4tqk	LECTIN 2 (Agrocybe aegerita)	PF13517 (VCBS)	5	ASP A 235 GLY A 240 ASP A 179 VAL A 233 GLY A 261	None	0.96A	1k6cB-4tqkA: undetectable	1k6cB-4tqkA: 14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4tqk	LECTIN 2 (Agrocybe aegerita)	PF13517 (VCBS)	5	ASP A 345 GLY A 350 ASP A 290 VAL A 343 GLY A 371	None	0.76A	1k6cB-4tqkA: undetectable	1k6cB-4tqkA: 14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4tqt	D-HYDANTOINASE (Brucella suis)	PF01979 (Amidohydro_1)	5	GLY A 389 ALA A 390 ASP A 391 ASP A 393 THR A 17	None	0.97A	1k6cB-4tqtA: undetectable	1k6cB-4tqtA: 12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4ttp	DEPHOSPHO-COA KINASE (Legionella pneumophila)	PF01121 (CoaE)	5	ALA A 175 ASP A 176 ASP A 177 GLY A 12 ILE A 118	None	0.83A	1k6cB-4ttpA: undetectable	1k6cB-4ttpA: 19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4wvr	DOWN SYNDROME CELL ADHESION MOLECULE, ISOFORM AK (Drosophila melanogaster)	PF13927 (Ig_3)	5	GLY A 80 VAL A 20 ILE A 57 THR A 22 VAL A 101	None	0.93A	1k6cB-4wvrA: undetectable	1k6cB-4wvrA: 21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4ydf	HTLV-1 PROTEASE (Primate T-lymphotropic virus 1)	PF00077 (RVP)	7	ARG A 10 ASP A 32 GLY A 34 ALA A 35 ASP A 36 VAL A 39 GLY A 58	None 4B1 A 201 (-2.9A) 4B1 A 201 ( 4.6A) 4B1 A 201 (-3.6A) 4B1 A 201 (-4.4A) None 4B1 A 201 (-3.4A)	0.77A	1k6cB-4ydfA: 13.2	1k6cB-4ydfA: 30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4zb3	NUDIX HYDROLASE 7 (Arabidopsis thaliana)	PF00293 (NUDIX)	5	ALA A 163 ASP A 164 VAL A 151 ILE A 111 VAL A 155	None	0.94A	1k6cB-4zb3A: undetectable	1k6cB-4zb3A: 17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4zr8	UROPORPHYRINOGEN DECARBOXYLASE (Acinetobacter baumannii)	PF01208 (URO-D)	5	GLY A 263 ALA A 264 ASP A 265 ILE A 230 THR A 249	None	0.90A	1k6cB-4zr8A: undetectable	1k6cB-4zr8A: 15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5a55	ENDO-ALPHA-N-ACETYLG ALACTOSAMINIDASE (Streptococcus pneumoniae)	PF12905 (Glyco_hydro_101) PF17451 (Glyco_hyd_101C)	5	GLY A 464 ALA A 465 ASP A 485 VAL A 542 VAL A 458	None	0.96A	1k6cB-5a55A: undetectable	1k6cB-5a55A: 6.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	6	ARG A 8 GLY A 27 ALA A 28 ASP A 29 ASP A 30 PRO A 81	None	0.65A	1k6cB-5b18A: 18.1	1k6cB-5b18A: 75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5b18	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	5	ARG A 8 GLY A 27 ALA A 28 ASP A 29 GLY A 49	None	0.88A	1k6cB-5b18A: 18.1	1k6cB-5b18A: 75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5epg	ALDEHYDE OXIDASE (Homo sapiens)	PF00111 (Fer2) PF00941 (FAD_binding_5) PF01315 (Ald_Xan_dh_C) PF01799 (Fer2_2) PF02738 (Ald_Xan_dh_C2) PF03450 (CO_deh_flav_C)	5	GLY A 809 ALA A 806 GLY A1087 ILE A1085 VAL A 803	None MTE A3003 (-3.8A) MTE A3003 ( 3.4A) None None	0.87A	1k6cB-5epgA: undetectable	1k6cB-5epgA: 6.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5m2n	ELONGATOR COMPLEX PROTEIN 2 (Saccharomyces cerevisiae)	PF00400 (WD40)	5	ALA A 402 ASP A 390 GLY A 772 ILE A 782 VAL A 388	None	0.98A	1k6cB-5m2nA: undetectable	1k6cB-5m2nA: 8.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	8	ARG A 8 ASP A 25 GLY A 27 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81	None	0.64A	1k6cB-5t2zA: 20.0	1k6cB-5t2zA: 78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	5t2z	PROTEASE (Human immunodeficiency virus 1)	PF00077 (RVP)	9	ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 VAL A 32 GLY A 49 ILE A 50 PRO A 81	None	0.49A	1k6cB-5t2zA: 20.0	1k6cB-5t2zA: 78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5tfq	BETA-LACTAMASE (Bacteroides cellulosilyticus)	PF13354 (Beta-lactamase2)	5	GLY A 234 ALA A 233 ASP A 232 ILE A 109 VAL A 167	None	0.91A	1k6cB-5tfqA: undetectable	1k6cB-5tfqA: 17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5tgf	UNCHARACTERIZED PROTEIN (Bacteroides dorei)	PF00144 (Beta-lactamase)	5	GLY A 69 ALA A 70 ASP A 73 GLY A 221 ILE A 217	None	0.85A	1k6cB-5tgfA: undetectable	1k6cB-5tgfA: 13.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5ufm	METHYLTRANSFERASE DOMAIN PROTEIN (Burkholderia thailandensis)	no annotation	5	ASP A 95 GLY A 76 ASP A 72 VAL A 120 GLY A 136	SAH A 301 (-2.7A) SAH A 301 (-3.6A) None SAH A 301 (-4.1A) AZ8 A 302 ( 3.5A)	0.80A	1k6cB-5ufmA: undetectable	1k6cB-5ufmA: 17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5vmb	SERINE HYDROXYMETHYLTRANSFE RASE (Acinetobacter baumannii)	PF00464 (SHMT)	5	GLY A 86 ALA A 87 ASP A 88 ILE A 219 THR A 225	None	0.83A	1k6cB-5vmbA: undetectable	1k6cB-5vmbA: 13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5w1a	MYOSIN HEAVY CHAIN, MUSCLE (Drosophila melanogaster)	no annotation	5	ALA A 260 ASP A 261 VAL A 219 GLY A 457 ILE A 456	None	0.90A	1k6cB-5w1aA: undetectable	1k6cB-5w1aA: 21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5zhz	PROBABLE ENDONUCLEASE 4 (Mycobacterium tuberculosis)	no annotation	5	GLY A 227 ALA A 228 ASP A 188 THR A 163 VAL A 190	None	0.99A	1k6cB-5zhzA: undetectable	1k6cB-5zhzA: 21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6c7s	PUTATIVE RIFAMPIN MONOOXYGENASE (Nocardia farcinica)	no annotation	5	GLY A 242 ALA A 241 VAL A 192 THR A 187 VAL A 191	None	0.90A	1k6cB-6c7sA: undetectable	1k6cB-6c7sA: 22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6fiv	RETROPEPSIN (Feline immunodeficiency virus)	PF00077 (RVP)	6	ARG A 13 ASP A 30 GLY A 32 ALA A 33 ASP A 34 GLY A 58	None 3TL A 201 (-3.5A) 3TL A 201 (-3.4A) 3TL A 201 (-4.0A) 3TL A 201 (-3.9A) 3TL A 201 (-3.4A)	0.60A	1k6cB-6fivA: 15.4	1k6cB-6fivA: 29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	6upj	HIV-2 PROTEASE (Human immunodeficiency virus 2)	PF00077 (RVP)	9	ARG A 8 ASP A 25 GLY A 27 ALA A 28 ASP A 29 ASP A 30 GLY A 49 ILE A 50 PRO A 81	None NIU A 100 (-2.8A) NIU A 100 (-4.5A) NIU A 100 (-3.6A) None None NIU A 100 ( 3.8A) NIU A 100 (-3.9A) None	0.89A	1k6cB-6upjA: 18.1	1k6cB-6upjA: 48.48

[["1K6C_B_MK1B902_2","1cu1","Hepacivirus C","PROTEIN (PROTEASE\/HELICASE NS3)","PF02907(Peptidase_S29);PF07652(Flavi_DEAD)",5,"ARG A 464;VAL A 389;GLY A 404;ILE A 403;VAL A 408","None","0.98A","1k6cB-1cu1A:undetectable","1k6cB-1cu1A:9.58"],["1K6C_B_MK1B902_2","1hci","Homo sapiens","ALPHA-ACTININ 2","PF00435(Spectrin)",5,"GLY A 534;ALA A 535;ASP A 538;VAL A 618;VAL A 614","None","0.90A","1k6cB-1hciA:undetectable","1k6cB-1hciA:13.07"],["1K6C_B_MK1B902_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",5,"ASP A  25;ALA A  28;ASP A  29;GLY A  48;PRO A  81","A79 A 800 (-2.8A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 (-4.1A);A79 A 800 ( 3.4A)","0.98A","1k6cB-1hvcA:14.2","1k6cB-1hvcA:46.80"],["1K6C_B_MK1B902_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81","A79 A 800 (-2.7A);A79 A 800 (-3.0A);A79 A 800 (-3.1A);A79 A 800 (-2.8A);A79 A 800 ( 4.9A);A79 A 800 ( 4.4A);A79 A 800 ( 3.7A);A79 A 800 (-3.8A);A79 A 800 ( 3.9A)","0.59A","1k6cB-1hvcA:14.2","1k6cB-1hvcA:46.80"],["1K6C_B_MK1B902_2","1hvc","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81","A79 A 800 (-2.8A);A79 A 800 (-3.0A);A79 A 800 (-3.2A);A79 A 800 (-2.7A);A79 A 800 ( 4.7A);A79 A 800 ( 4.3A);A79 A 800 (-3.4A);A79 A 800 ( 4.0A);A79 A 800 ( 3.4A)","0.47A","1k6cB-1hvcA:14.2","1k6cB-1hvcA:46.80"],["1K6C_B_MK1B902_2","1j2b","Pyrococcus horikoshii","ARCHAEOSINE TRNA-GUANINE TRANSGLYCOSYLASE","PF01472(PUA);PF01702(TGT);PF14809(TGT_C1);PF14810(TGT_C2)",5,"ASP A 535;GLY A 537;ASP A 542;GLY A 449;PRO A 504","None","0.87A","1k6cB-1j2bA:undetectable","1k6cB-1j2bA:10.66"],["1K6C_B_MK1B902_2","1knr","Escherichia coli","L-ASPARTATE OXIDASE","PF00890(FAD_binding_2);PF02910(Succ_DH_flav_C)",5,"GLY A 181;ALA A 182;ASP A 164;THR A 160;VAL A 184","None","0.96A","1k6cB-1knrA:undetectable","1k6cB-1knrA:11.19"],["1K6C_B_MK1B902_2","1ocm","Bradyrhizobium japonicum","MALONAMIDASE E2","PF01425(Amidase)",6,"GLY A 142;ALA A 141;GLY A 164;PRO A 128;THR A 118;VAL A  36","None","1.18A","1k6cB-1ocmA:undetectable","1k6cB-1ocmA:15.72"],["1K6C_B_MK1B902_2","1ofu","Pseudomonas aeruginosa","CELL DIVISION PROTEIN FTSZ","PF00091(Tubulin);PF12327(FtsZ_C)",5,"GLY A 192;ALA A 193;GLY A 227;PRO A 165;THR A 133","None;None;None;None;GDP A1318 ( 4.9A)","0.94A","1k6cB-1ofuA:undetectable","1k6cB-1ofuA:15.26"],["1K6C_B_MK1B902_2","1ogo","Talaromyces minioluteus","DEXTRANASE","PF03718(Glyco_hydro_49);PF17433(Glyco_hydro_49N)",6,"ALA X 397;ASP X 395;GLY X 458;ILE X 457;PRO X 489;THR X 443","None;GLC X1576 (-2.7A);None;None;None;None","1.34A","1k6cB-1ogoX:undetectable","1k6cB-1ogoX:13.02"],["1K6C_B_MK1B902_2","1php","Geobacillus stearothermophilus","3-PHOSPHOGLYCERATE KINASE","PF00162(PGK)",5,"ASP A 294;GLY A 330;VAL A 280;THR A 278;VAL A 267","None","0.96A","1k6cB-1phpA:undetectable","1k6cB-1phpA:17.18"],["1K6C_B_MK1B902_2","1pl8","Homo sapiens","HUMAN SORBITOL DEHYDROGENASE","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 167;VAL A 177;GLY A 160;ILE A 161;VAL A 175","None","0.97A","1k6cB-1pl8A:undetectable","1k6cB-1pl8A:14.42"],["1K6C_B_MK1B902_2","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32","None","0.35A","1k6cB-1q9pA:10.8","1k6cB-1q9pA:91.58"],["1K6C_B_MK1B902_2","1q9p","Homo sapiens","HIV-1 PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  30;VAL A  32;PRO A  81","None","0.91A","1k6cB-1q9pA:10.8","1k6cB-1q9pA:91.58"],["1K6C_B_MK1B902_2","1quu","Homo sapiens","HUMAN SKELETAL MUSCLE ALPHA-ACTININ 2","PF00435(Spectrin)",5,"GLY A 147;ALA A 148;ASP A 151;VAL A 231;VAL A 227","None","0.95A","1k6cB-1quuA:undetectable","1k6cB-1quuA:14.46"],["1K6C_B_MK1B902_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",6,"ARG A   8;ASP A  25;ALA A  28;ASP A  29;GLY A  49;ILE A  50","None","1.42A","1k6cB-1sivA:18.4","1k6cB-1sivA:49.49"],["1K6C_B_MK1B902_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","None","0.43A","1k6cB-1sivA:18.4","1k6cB-1sivA:49.49"],["1K6C_B_MK1B902_2","1siv","Simian immunodeficiency virus","SIV PROTEASE","PF00077(RVP)",7,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;GLY A  48;PRO A  81","None","0.91A","1k6cB-1sivA:18.4","1k6cB-1sivA:49.49"],["1K6C_B_MK1B902_2","1u3t","Homo sapiens","ALCOHOL DEHYDROGENASE ALPHA CHAIN","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"ALA A 156;VAL A  36;ILE A  90;THR A 150;VAL A 152","None","0.97A","1k6cB-1u3tA:undetectable","1k6cB-1u3tA:13.90"],["1K6C_B_MK1B902_2","1v5f","Aerococcus viridans","PYRUVATE OXIDASE","PF00205(TPP_enzyme_M);PF02775(TPP_enzyme_C);PF02776(TPP_enzyme_N)",5,"GLY A 390;ASP A 442;VAL A 466;GLY A 418;ILE A 419","TPP A1602 ( 3.9A); MG A1603 ( 2.8A);None;None;None","0.98A","1k6cB-1v5fA:undetectable","1k6cB-1v5fA:10.98"],["1K6C_B_MK1B902_2","1w5d","Bacillus subtilis","PENICILLIN-BINDING PROTEIN","PF02113(Peptidase_S13)",5,"GLY A 247;ALA A 246;GLY A 271;ILE A 126;THR A  74","None","0.98A","1k6cB-1w5dA:undetectable","1k6cB-1w5dA:12.12"],["1K6C_B_MK1B902_2","1w8j","Gallus gallus","MYOSIN VA","PF00063(Myosin_head)",5,"GLY A 236;ALA A 237;GLY A 434;ILE A 433;VAL A 196","None","0.92A","1k6cB-1w8jA:undetectable","1k6cB-1w8jA:9.48"],["1K6C_B_MK1B902_2","1x44","Homo sapiens","MYOSIN-BINDING PROTEIN C, SLOW-TYPE","PF07679(I-set)",5,"ALA A  36;ASP A  35;ASP A  34;ILE A  57;VAL A  31","None","0.96A","1k6cB-1x44A:undetectable","1k6cB-1x44A:19.09"],["1K6C_B_MK1B902_2","1ytq","Homo sapiens","BETA CRYSTALLIN B2","PF00030(Crystall)",5,"ASP A 125;ASP A 126;VAL A 128;ILE A 109;VAL A 186","None","0.85A","1k6cB-1ytqA:undetectable","1k6cB-1ytqA:18.32"],["1K6C_B_MK1B902_2","1zxq","Homo sapiens","INTERCELLULAR ADHESION MOLECULE-2","PF03921(ICAM_N)",5,"GLY A 103;ALA A 155;ASP A 156;ASP A 159;VAL A 100","None","0.96A","1k6cB-1zxqA:undetectable","1k6cB-1zxqA:21.11"],["1K6C_B_MK1B902_2","2dfs","Gallus gallus","MYOSIN-5A","PF00063(Myosin_head);PF00612(IQ)",5,"GLY A 236;ALA A 237;GLY A 434;ILE A 433;VAL A 196","None","0.90A","1k6cB-2dfsA:undetectable","1k6cB-2dfsA:7.03"],["1K6C_B_MK1B902_2","2dpm","Streptococcus pneumoniae","PROTEIN (ADENINE-SPECIFIC METHYLTRANSFERASE DPNII 1)","PF02086(MethyltransfD12)",5,"GLY A 233;ALA A 234;ASP A 189;VAL A 191;VAL A 236","None","0.92A","1k6cB-2dpmA:undetectable","1k6cB-2dpmA:18.02"],["1K6C_B_MK1B902_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",6,"ARG A   8;ASP A  25;GLY A  27;ASP A  29;GLY A  55;PRO A  86","LP1 A 201 (-3.5A);LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.6A);LP1 A 201 (-3.4A);LP1 A 201 (-3.9A)","0.64A","1k6cB-2fmbA:15.2","1k6cB-2fmbA:31.73"],["1K6C_B_MK1B902_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  54","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.6A)","0.84A","1k6cB-2fmbA:15.2","1k6cB-2fmbA:31.73"],["1K6C_B_MK1B902_2","2fmb","Equine infectious anemia virus","EQUINE INFECTIOUS ANEMIA VIRUS PROTEASE","PF00077(RVP)",7,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;VAL A  32;GLY A  55;PRO A  86","LP1 A 201 (-2.3A);LP1 A 201 (-3.8A);LP1 A 201 (-3.5A);LP1 A 201 (-3.6A);None;LP1 A 201 (-3.4A);LP1 A 201 (-3.9A)","0.31A","1k6cB-2fmbA:15.2","1k6cB-2fmbA:31.73"],["1K6C_B_MK1B902_2","2isq","Arabidopsis thaliana","CYSTEINE SYNTHASE","PF00291(PALP)",5,"GLY A 190;ALA A 189;GLY A 183;ILE A 180;PRO A 296","None;None;PLP A 400 (-3.4A);PLP A 400 (-4.9A);PLP A 400 (-4.0A)","0.65A","1k6cB-2isqA:undetectable","1k6cB-2isqA:17.19"],["1K6C_B_MK1B902_2","2j6l","Homo sapiens","ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1","PF00171(Aldedh)",5,"GLY A 231;VAL A 259;GLY A 162;ILE A 163;VAL A 255","NAI A1501 (-3.4A);None;None;None;None","0.89A","1k6cB-2j6lA:undetectable","1k6cB-2j6lA:11.84"],["1K6C_B_MK1B902_2","2jex","Deltapapillomavirus 4","REGULATORY PROTEIN E2","PF00508(PPV_E2_N)",5,"GLY A 151;ALA A 152;ASP A 153;VAL A 119;VAL A 117","None","0.81A","1k6cB-2jexA:undetectable","1k6cB-2jexA:15.09"],["1K6C_B_MK1B902_2","2jg7","Acanthopagrus schlegelii","ANTIQUITIN","PF00171(Aldedh)",5,"GLY A 229;VAL A 257;GLY A 160;ILE A 161;VAL A 253","NAD A1510 (-3.4A);None;None;None;None","0.87A","1k6cB-2jg7A:undetectable","1k6cB-2jg7A:13.15"],["1K6C_B_MK1B902_2","2jqv","Arabidopsis thaliana","AIG2 PROTEIN-LIKE","PF06094(GGACT)",5,"GLY A  64;ALA A  36;VAL A 102;ILE A  67;VAL A  93","None","0.98A","1k6cB-2jqvA:undetectable","1k6cB-2jqvA:18.29"],["1K6C_B_MK1B902_2","2nlz","Bacillus halodurans","CEPHALOSPORIN ACYLASE","PF01019(G_glu_transpept)",5,"GLY A 512;ASP A 467;GLY A 526;ILE A 515;VAL A 451","None","0.94A","1k6cB-2nlzA:undetectable","1k6cB-2nlzA:12.73"],["1K6C_B_MK1B902_2","2qe6","Thermobifida fusca","UNCHARACTERIZED PROTEIN TFU_2867","PF04672(Methyltransf_19)",5,"ASP A 110;GLY A  86;ASP A  82;VAL A 136;GLY A 164","SAM A 400 (-2.7A);SAM A 400 ( 3.2A);None;SAM A 400 (-3.8A);SAM A 400 (-3.5A)","0.98A","1k6cB-2qe6A:undetectable","1k6cB-2qe6A:17.41"],["1K6C_B_MK1B902_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","AB1 A 501 ( 4.7A);AB1 A 501 (-2.4A);AB1 A 501 (-3.9A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-3.8A);AB1 A 501 (-3.5A);AB1 A 501 (-3.8A);AB1 A 501 (-4.2A)","0.54A","1k6cB-2rkfA:20.9","1k6cB-2rkfA:82.83"],["1K6C_B_MK1B902_2","2rkf","Human immunodeficiency virus 1","PROTEASE RETROPEPSIN","PF00077(RVP)",5,"ASP A  25;ALA A  28;ASP A  29;GLY A  48;PRO A  81","AB1 A 501 (-2.4A);AB1 A 501 (-3.5A);AB1 A 501 ( 3.3A);AB1 A 501 (-4.2A);AB1 A 501 (-4.2A)","0.88A","1k6cB-2rkfA:20.9","1k6cB-2rkfA:82.83"],["1K6C_B_MK1B902_2","2rsp","Rous sarcoma virus","RSV PROTEASE","PF00077(RVP)",5,"ARG A  10;ASP A  37;GLY A  39;ALA A  40;ASP A  41","None","0.79A","1k6cB-2rspA:13.0","1k6cB-2rspA:32.00"],["1K6C_B_MK1B902_2","3al0","Thermotoga maritima","GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE SUBUNIT A","PF01425(Amidase)",5,"GLY A 152;ALA A 151;GLY A 174;THR A 128;VAL A  40","None","0.90A","1k6cB-3al0A:undetectable","1k6cB-3al0A:13.00"],["1K6C_B_MK1B902_2","3bi3","Escherichia coli","ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE ALKB","PF13532(2OG-FeII_Oxy_2)",5,"ARG A 183;GLY A 108;ALA A 107;VAL A 175;VAL A 177","None","0.94A","1k6cB-3bi3A:undetectable","1k6cB-3bi3A:17.59"],["1K6C_B_MK1B902_2","3dlc","Methanococcus maripaludis","PUTATIVE S-ADENOSYL-L-METHIONINE-DEPENDENT METHYLTRANSFERASE","PF08241(Methyltransf_11)",5,"ASP A  72;GLY A  52;ASP A  48;VAL A 101;GLY A 118","SAM A 220 (-2.9A);SAM A 220 (-3.2A);SAM A 220 ( 4.9A);SAM A 220 ( 4.2A);SAM A 220 (-4.7A)","0.93A","1k6cB-3dlcA:undetectable","1k6cB-3dlcA:18.75"],["1K6C_B_MK1B902_2","3g7k","Eubacterium barkeri","3-METHYLITACONATE ISOMERASE","PF04303(PrpF)",5,"GLY A 312;VAL A 177;ILE A 349;THR A 169;VAL A 201","None","0.94A","1k6cB-3g7kA:undetectable","1k6cB-3g7kA:12.60"],["1K6C_B_MK1B902_2","3i5g","Doryteuthis pealeii","MYOSIN HEAVY CHAIN ISOFORM A","PF00063(Myosin_head);PF00612(IQ);PF02736(Myosin_N)",5,"GLY A 264;ALA A 265;ASP A 266;GLY A 460;ILE A 459","None","0.78A","1k6cB-3i5gA:undetectable","1k6cB-3i5gA:8.12"],["1K6C_B_MK1B902_2","3ip1","Thermotoga maritima","ALCOHOL DEHYDROGENASE, ZINC-CONTAINING","PF00107(ADH_zinc_N);PF08240(ADH_N)",5,"GLY A 235;ALA A 236;GLY A 208;ILE A 203;VAL A 239","None","0.83A","1k6cB-3ip1A:undetectable","1k6cB-3ip1A:12.83"],["1K6C_B_MK1B902_2","3kgy","Chloroflexus aurantiacus","BIFUNCTIONAL DEAMINASE-REDUCTASE DOMAIN PROTEIN","PF01872(RibD_C)",5,"ARG A 147;GLY A  83;GLY A  89;PRO A  99;VAL A 104","None;NDP A 301 (-3.5A);EDO A 215 (-3.3A);None;None","0.98A","1k6cB-3kgyA:undetectable","1k6cB-3kgyA:14.91"],["1K6C_B_MK1B902_2","3ktn","Enterococcus faecalis","CARBOHYDRATE KINASE, PFKB FAMILY","PF00294(PfkB)",5,"VAL A 320;GLY A 287;ILE A 284;THR A 318;VAL A 323","None","0.99A","1k6cB-3ktnA:undetectable","1k6cB-3ktnA:16.49"],["1K6C_B_MK1B902_2","3lp6","Mycobacterium tuberculosis","PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTIC SUBUNIT","PF00731(AIRC)",5,"GLY A  71;ALA A  70;ASP A  19;GLY A 122;ILE A 121","FMT A 175 (-4.1A);FMT A 175 ( 4.3A);FMT A 175 (-3.5A);None;None","0.96A","1k6cB-3lp6A:undetectable","1k6cB-3lp6A:18.86"],["1K6C_B_MK1B902_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",8,"ARG A   8;ASP A  25;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  48;PRO A  81","None","0.92A","1k6cB-3mwsA:19.5","1k6cB-3mwsA:74.75"],["1K6C_B_MK1B902_2","3mws","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81","None","0.60A","1k6cB-3mwsA:19.5","1k6cB-3mwsA:74.75"],["1K6C_B_MK1B902_2","3nec","Toxoplasma gondii","INFLAMMATORY PROFILIN","PF00235(Profilin)",5,"GLY A  41;ALA A  35;ASP A   5;ILE A 133;VAL A  13","None","0.88A","1k6cB-3necA:undetectable","1k6cB-3necA:20.57"],["1K6C_B_MK1B902_2","3opq","Francisella tularensis","PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE,CATALYTIC SUBUNIT","PF00731(AIRC)",5,"GLY A  66;ALA A  65;ASP A  14;GLY A 117;ILE A 116","PO4 A 164 (-3.7A);PO4 A 164 (-3.3A);PO4 A 164 (-2.8A);FMT A 166 (-3.3A);None","0.99A","1k6cB-3opqA:undetectable","1k6cB-3opqA:20.13"],["1K6C_B_MK1B902_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;VAL A  39;GLY A  56","3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-3.4A)","0.55A","1k6cB-3slzA:11.2","1k6cB-3slzA:26.67"],["1K6C_B_MK1B902_2","3slz","Murine leukemia virus","GAG-PRO-POL POLYPROTEIN","PF00077(RVP)",5,"ASP A  32;GLY A  34;ALA A  35;VAL A  39;PRO A  89","3TL A 126 (-2.4A);3TL A 126 (-3.1A);3TL A 126 ( 4.0A);None;3TL A 126 (-4.0A)","0.71A","1k6cB-3slzA:11.2","1k6cB-3slzA:26.67"],["1K6C_B_MK1B902_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;VAL A  84","SO4 A 101 (-3.8A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;017 A 201 (-4.0A);017 A 201 (-3.3A);None","0.69A","1k6cB-3t3cA:18.5","1k6cB-3t3cA:77.78"],["1K6C_B_MK1B902_2","3t3c","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",10,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;PRO A  81;VAL A  84","SO4 A 101 (-3.8A);017 A 201 (-2.6A);017 A 201 (-3.4A);017 A 201 (-3.5A);017 A 201 (-3.5A);017 A 201 (-4.2A);None;017 A 201 (-4.0A);None;None","0.77A","1k6cB-3t3cA:18.5","1k6cB-3t3cA:77.78"],["1K6C_B_MK1B902_2","3ttp","Human immunodeficiency virus 1","HIV-1 PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","017 A 201 ( 4.8A);017 A 201 (-2.6A);017 A 201 (-3.6A);017 A 201 (-3.4A);017 A 201 (-3.3A);017 A 201 (-4.6A);017 A 201 (-3.0A);017 A 201 (-3.3A);017 A 201 (-4.1A)","0.55A","1k6cB-3ttpA:19.5","1k6cB-3ttpA:77.78"],["1K6C_B_MK1B902_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",6,"ARG A   8;ASP A  25;ALA A  28;ASP A  30;GLY A  49;PRO A  81","None;017 A 202 ( 2.5A);017 A 201 (-3.4A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 202 (-4.0A)","1.47A","1k6cB-3u7sA:19.8","1k6cB-3u7sA:80.81"],["1K6C_B_MK1B902_2","3u7s","Human immunodeficiency virus 1","POL POLYPROTEIN","PF00077(RVP)",10,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81;VAL A  84","None;017 A 202 ( 2.5A);017 A 201 ( 3.5A);017 A 201 (-3.4A);017 A 201 (-3.2A);017 A 201 ( 4.0A);017 A 202 (-2.9A);017 A 201 ( 3.5A);017 A 202 (-4.0A);None","0.57A","1k6cB-3u7sA:19.8","1k6cB-3u7sA:80.81"],["1K6C_B_MK1B902_2","3uhl","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;PRO A  81;VAL A  84","None","0.40A","1k6cB-3uhlA:16.1","1k6cB-3uhlA:79.80"],["1K6C_B_MK1B902_2","3uxm","Pseudomonas aeruginosa","THYMIDYLATE KINASE","PF02223(Thymidylate_kin)",5,"GLY A 187;ALA A 186;ASP A 136;GLY A 142;THR A  18","None","0.95A","1k6cB-3uxmA:undetectable","1k6cB-3uxmA:19.62"],["1K6C_B_MK1B902_2","3w2i","Sus scrofa","NADH-CYTOCHROME B5 REDUCTASE 3","PF00175(NAD_binding_1);PF00970(FAD_binding_6)",5,"ASP A  72;ASP A  73;GLY A  43;ILE A   5;PRO A  36","None","0.96A","1k6cB-3w2iA:undetectable","1k6cB-3w2iA:16.67"],["1K6C_B_MK1B902_2","3wxo","Synechococcus elongatus","CATALASE-PEROXIDASE","PF00141(peroxidase)",5,"GLY A 616;VAL A 533;GLY A 610;ILE A 609;VAL A 463","None","0.99A","1k6cB-3wxoA:undetectable","1k6cB-3wxoA:10.07"],["1K6C_B_MK1B902_2","4d1e","Homo sapiens","ALPHA-ACTININ-2","PF00307(CH);PF00435(Spectrin);PF08726(EFhand_Ca_insen)",5,"GLY A 534;ALA A 535;ASP A 538;VAL A 618;VAL A 614","None","0.96A","1k6cB-4d1eA:undetectable","1k6cB-4d1eA:8.42"],["1K6C_B_MK1B902_2","4grd","Burkholderia cenocepacia","PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTIC SUBUNIT","PF00731(AIRC)",5,"GLY A  77;ALA A  76;ASP A  25;GLY A 128;ILE A 127","None","0.99A","1k6cB-4grdA:undetectable","1k6cB-4grdA:19.75"],["1K6C_B_MK1B902_2","4ir8","Toxoplasma gondii","SEDOHEPTULOSE-1,7 BISPHOSPHATASE, PUTATIVE","PF00316(FBPase)",6,"ASP A 184;GLY A 197;VAL A 167;GLY A 180;ILE A 200;VAL A 166","None","1.50A","1k6cB-4ir8A:undetectable","1k6cB-4ir8A:14.29"],["1K6C_B_MK1B902_2","4jig","Burkholderia cenocepacia","DEHYDROGENASE","PF13561(adh_short_C2)",5,"GLY A 120;ALA A 121;GLY A  94;ILE A  95;VAL A 169","None;None;None;GOL A 303 (-4.8A);None","0.99A","1k6cB-4jigA:undetectable","1k6cB-4jigA:16.41"],["1K6C_B_MK1B902_2","4jq9","Escherichia coli","DIHYDROLIPOYL DEHYDROGENASE","PF02852(Pyr_redox_dim);PF07992(Pyr_redox_2)",5,"GLY A 182;GLY A 191;ILE A 201;THR A 223;VAL A 210","None","0.93A","1k6cB-4jq9A:undetectable","1k6cB-4jq9A:12.79"],["1K6C_B_MK1B902_2","4kkm","Zymomonas mobilis","POLYPRENYL SYNTHETASE","PF00348(polyprenyl_synt)",5,"ALA A 224;ASP A 225;ASP A 226;GLY A 218;ILE A 217","None","0.94A","1k6cB-4kkmA:undetectable","1k6cB-4kkmA:19.61"],["1K6C_B_MK1B902_2","4kws","Chromohalobacter salexigens","D-MANNONATE DEHYDRATASE","PF02746(MR_MLE_N);PF13378(MR_MLE_C)",5,"GLY A  34;ALA A  90;GLY A 294;ILE A 295;THR A  68","None","0.96A","1k6cB-4kwsA:undetectable","1k6cB-4kwsA:13.12"],["1K6C_B_MK1B902_2","4mpt","Bordetella pertussis","PUTATIVE LEU\/ILE\/VAL-BINDING PROTEIN","PF13458(Peripla_BP_6)",5,"ALA A 308;VAL A  31;GLY A  75;ILE A  76;VAL A  27","None","0.94A","1k6cB-4mptA:undetectable","1k6cB-4mptA:16.91"],["1K6C_B_MK1B902_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"ARG A   8;ASP A  25;GLY A  27;VAL A  32;GLY A  49;ILE A  50;THR A  82","RIT A 500 (-3.2A);RIT A 500 (-2.4A);RIT A 500 (-3.9A);None;RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-3.5A)","0.74A","1k6cB-4njvA:20.5","1k6cB-4njvA:86.87"],["1K6C_B_MK1B902_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",7,"ASP A  25;ALA A  28;ASP A  29;ASP A  30;GLY A  48;PRO A  81;THR A  82","RIT A 500 (-2.4A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);RIT A 500 (-4.8A);RIT A 500 (-3.9A);RIT A 500 (-3.5A)","0.84A","1k6cB-4njvA:20.5","1k6cB-4njvA:86.87"],["1K6C_B_MK1B902_2","4njv","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",10,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81;THR A  82","RIT A 500 (-2.4A);RIT A 500 (-3.9A);RIT A 500 (-3.6A);RIT A 500 (-3.2A);RIT A 500 (-4.8A);None;RIT A 500 (-3.4A);RIT A 500 (-4.3A);RIT A 500 (-3.9A);RIT A 500 (-3.5A)","0.64A","1k6cB-4njvA:20.5","1k6cB-4njvA:86.87"],["1K6C_B_MK1B902_2","4pcg","Human polyomavirus 6","VP1","PF00718(Polyoma_coat)",6,"ALA A 194;ASP A 195;ASP A 144;VAL A 182;GLY A 147;PRO A 188","None","1.48A","1k6cB-4pcgA:undetectable","1k6cB-4pcgA:16.17"],["1K6C_B_MK1B902_2","4tqk","Agrocybe aegerita","LECTIN 2","PF13517(VCBS)",5,"ASP A 235;GLY A 240;ASP A 179;VAL A 233;GLY A 261","None","0.96A","1k6cB-4tqkA:undetectable","1k6cB-4tqkA:14.52"],["1K6C_B_MK1B902_2","4tqk","Agrocybe aegerita","LECTIN 2","PF13517(VCBS)",5,"ASP A 345;GLY A 350;ASP A 290;VAL A 343;GLY A 371","None","0.76A","1k6cB-4tqkA:undetectable","1k6cB-4tqkA:14.52"],["1K6C_B_MK1B902_2","4tqt","Brucella suis","D-HYDANTOINASE","PF01979(Amidohydro_1)",5,"GLY A 389;ALA A 390;ASP A 391;ASP A 393;THR A  17","None","0.97A","1k6cB-4tqtA:undetectable","1k6cB-4tqtA:12.73"],["1K6C_B_MK1B902_2","4ttp","Legionella pneumophila","DEPHOSPHO-COA KINASE","PF01121(CoaE)",5,"ALA A 175;ASP A 176;ASP A 177;GLY A  12;ILE A 118","None","0.83A","1k6cB-4ttpA:undetectable","1k6cB-4ttpA:19.32"],["1K6C_B_MK1B902_2","4wvr","Drosophila melanogaster","DOWN SYNDROME CELL ADHESION MOLECULE, ISOFORM AK","PF13927(Ig_3)",5,"GLY A  80;VAL A  20;ILE A  57;THR A  22;VAL A 101","None","0.93A","1k6cB-4wvrA:undetectable","1k6cB-4wvrA:21.37"],["1K6C_B_MK1B902_2","4ydf","Primate T-lymphotropic virus 1","HTLV-1 PROTEASE","PF00077(RVP)",7,"ARG A  10;ASP A  32;GLY A  34;ALA A  35;ASP A  36;VAL A  39;GLY A  58","None;4B1 A 201 (-2.9A);4B1 A 201 ( 4.6A);4B1 A 201 (-3.6A);4B1 A 201 (-4.4A);None;4B1 A 201 (-3.4A)","0.77A","1k6cB-4ydfA:13.2","1k6cB-4ydfA:30.77"],["1K6C_B_MK1B902_2","4zb3","Arabidopsis thaliana","NUDIX HYDROLASE 7","PF00293(NUDIX)",5,"ALA A 163;ASP A 164;VAL A 151;ILE A 111;VAL A 155","None","0.94A","1k6cB-4zb3A:undetectable","1k6cB-4zb3A:17.41"],["1K6C_B_MK1B902_2","4zr8","Acinetobacter baumannii","UROPORPHYRINOGEN DECARBOXYLASE","PF01208(URO-D)",5,"GLY A 263;ALA A 264;ASP A 265;ILE A 230;THR A 249","None","0.90A","1k6cB-4zr8A:undetectable","1k6cB-4zr8A:15.41"],["1K6C_B_MK1B902_2","5a55","Streptococcus pneumoniae","ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE","PF12905(Glyco_hydro_101);PF17451(Glyco_hyd_101C)",5,"GLY A 464;ALA A 465;ASP A 485;VAL A 542;VAL A 458","None","0.96A","1k6cB-5a55A:undetectable","1k6cB-5a55A:6.15"],["1K6C_B_MK1B902_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",6,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;ASP A  30;PRO A  81","None","0.65A","1k6cB-5b18A:18.1","1k6cB-5b18A:75.76"],["1K6C_B_MK1B902_2","5b18","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",5,"ARG A   8;GLY A  27;ALA A  28;ASP A  29;GLY A  49","None","0.88A","1k6cB-5b18A:18.1","1k6cB-5b18A:75.76"],["1K6C_B_MK1B902_2","5epg","Homo sapiens","ALDEHYDE OXIDASE","PF00111(Fer2);PF00941(FAD_binding_5);PF01315(Ald_Xan_dh_C);PF01799(Fer2_2);PF02738(Ald_Xan_dh_C2);PF03450(CO_deh_flav_C)",5,"GLY A 809;ALA A 806;GLY A1087;ILE A1085;VAL A 803","None;MTE A3003 (-3.8A);MTE A3003 ( 3.4A);None;None","0.87A","1k6cB-5epgA:undetectable","1k6cB-5epgA:6.32"],["1K6C_B_MK1B902_2","5m2n","Saccharomyces cerevisiae","ELONGATOR COMPLEX PROTEIN 2","PF00400(WD40)",5,"ALA A 402;ASP A 390;GLY A 772;ILE A 782;VAL A 388","None","0.98A","1k6cB-5m2nA:undetectable","1k6cB-5m2nA:8.44"],["1K6C_B_MK1B902_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",8,"ARG A   8;ASP A  25;GLY A  27;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81","None","0.64A","1k6cB-5t2zA:20.0","1k6cB-5t2zA:78.79"],["1K6C_B_MK1B902_2","5t2z","Human immunodeficiency virus 1","PROTEASE","PF00077(RVP)",9,"ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;VAL A  32;GLY A  49;ILE A  50;PRO A  81","None","0.49A","1k6cB-5t2zA:20.0","1k6cB-5t2zA:78.79"],["1K6C_B_MK1B902_2","5tfq","Bacteroides cellulosilyticus","BETA-LACTAMASE","PF13354(Beta-lactamase2)",5,"GLY A 234;ALA A 233;ASP A 232;ILE A 109;VAL A 167","None","0.91A","1k6cB-5tfqA:undetectable","1k6cB-5tfqA:17.22"],["1K6C_B_MK1B902_2","5tgf","Bacteroides dorei","UNCHARACTERIZED PROTEIN","PF00144(Beta-lactamase)",5,"GLY A  69;ALA A  70;ASP A  73;GLY A 221;ILE A 217","None","0.85A","1k6cB-5tgfA:undetectable","1k6cB-5tgfA:13.86"],["1K6C_B_MK1B902_2","5ufm","Burkholderia thailandensis","METHYLTRANSFERASE DOMAIN PROTEIN","no annotation",5,"ASP A  95;GLY A  76;ASP A  72;VAL A 120;GLY A 136","SAH A 301 (-2.7A);SAH A 301 (-3.6A);None;SAH A 301 (-4.1A);AZ8 A 302 ( 3.5A)","0.80A","1k6cB-5ufmA:undetectable","1k6cB-5ufmA:17.71"],["1K6C_B_MK1B902_2","5vmb","Acinetobacter baumannii","SERINE HYDROXYMETHYLTRANSFERASE","PF00464(SHMT)",5,"GLY A  86;ALA A  87;ASP A  88;ILE A 219;THR A 225","None","0.83A","1k6cB-5vmbA:undetectable","1k6cB-5vmbA:13.83"],["1K6C_B_MK1B902_2","5w1a","Drosophila melanogaster","MYOSIN HEAVY CHAIN, MUSCLE","no annotation",5,"ALA A 260;ASP A 261;VAL A 219;GLY A 457;ILE A 456","None","0.90A","1k6cB-5w1aA:undetectable","1k6cB-5w1aA:21.62"],["1K6C_B_MK1B902_2","5zhz","Mycobacterium tuberculosis","PROBABLE ENDONUCLEASE 4","no annotation",5,"GLY A 227;ALA A 228;ASP A 188;THR A 163;VAL A 190","None","0.99A","1k6cB-5zhzA:undetectable","1k6cB-5zhzA:21.57"],["1K6C_B_MK1B902_2","6c7s","Nocardia farcinica","PUTATIVE RIFAMPIN MONOOXYGENASE","no annotation",5,"GLY A 242;ALA A 241;VAL A 192;THR A 187;VAL A 191","None","0.90A","1k6cB-6c7sA:undetectable","1k6cB-6c7sA:22.45"],["1K6C_B_MK1B902_2","6fiv","Feline immunodeficiency virus","RETROPEPSIN","PF00077(RVP)",6,"ARG A  13;ASP A  30;GLY A  32;ALA A  33;ASP A  34;GLY A  58","None;3TL A 201 (-3.5A);3TL A 201 (-3.4A);3TL A 201 (-4.0A);3TL A 201 (-3.9A);3TL A 201 (-3.4A)","0.60A","1k6cB-6fivA:15.4","1k6cB-6fivA:29.57"],["1K6C_B_MK1B902_2","6upj","Human immunodeficiency virus 2","HIV-2 PROTEASE","PF00077(RVP)",9,"ARG A   8;ASP A  25;GLY A  27;ALA A  28;ASP A  29;ASP A  30;GLY A  49;ILE A  50;PRO A  81","None;NIU A 100 (-2.8A);NIU A 100 (-4.5A);NIU A 100 (-3.6A);None;None;NIU A 100 ( 3.8A);NIU A 100 (-3.9A);None","0.89A","1k6cB-6upjA:18.1","1k6cB-6upjA:48.48"]]