SIMILAR PATTERNS OF AMINO ACIDS FOR 2BXC_B_P1ZB2001_1

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)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 GLU A 378
LEU A 391
LEU A 246
ARG A 220
ALA A 219
 None
 1.38A 2bxcB-1gpmA:
undetectable		 2bxcB-1gpmA:
21.79
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.
1kc8 RIBOSOMAL PROTEIN
L18

(Haloarcula
marismortui) 		PF17144
(Ribosomal_L5e) 		5 LEU O 186
ARG O  91
LEU O 179
ALA O 122
ALA O  61
 None
 1.06A 2bxcB-1kc8O:
undetectable		 2bxcB-1kc8O:
18.27
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.
1qjt EPIDERMAL GROWTH
FACTOR RECEPTOR
SUBSTRATE SUBSTRATE
15, EPS15

(Mus musculus) 		PF12763
(EF-hand_4) 		5 GLU A  72
LEU A  53
LEU A  43
ALA A  36
ALA A  60
 None
 1.39A 2bxcB-1qjtA:
undetectable		 2bxcB-1qjtA:
12.42
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.
1rxw FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 GLU A 207
LEU A 225
LEU A 176
ARG A 185
ALA A   3
 None
 1.45A 2bxcB-1rxwA:
undetectable		 2bxcB-1rxwA:
20.95
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 692
ARG B 228
HIS B 106
ARG B 107
ALA B 230
 FAD  B1900 ( 4.2A)
None
FAD  B1900 ( 4.7A)
None
None
 1.34A 2bxcB-1sb3A:
0.0		 2bxcB-1sb3A:
22.14
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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		5 GLU A 132
LEU A 119
LEU A  91
ALA A  96
ALA A 136
 None
 1.46A 2bxcB-1sbzA:
undetectable		 2bxcB-1sbzA:
15.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		9 TYR A 150
GLU A 153
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
ALA A 261
ALA A 291
 DKA  A1003 (-4.4A)
None
None
CIT  A2001 ( 2.9A)
DKA  A1003 (-4.3A)
DKA  A1003 (-3.7A)
DKA  A1003 (-4.1A)
None
CIT  A2001 ( 3.9A)
 0.45A 2bxcB-1tf0A:
47.4		 2bxcB-1tf0A:
100.00
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 GLU A  58
LEU A  71
LEU A  95
ALA A  47
ALA A  41
 None
 1.11A 2bxcB-1v5bA:
undetectable		 2bxcB-1v5bA:
20.36
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 524
LEU A 380
HIS A 381
ARG A 863
ALA A 867
 None
 1.42A 2bxcB-1vbgA:
undetectable		 2bxcB-1vbgA:
22.20
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 GLU A  58
LEU A 441
LEU A 415
ALA A  32
ALA A  25
 None
 1.50A 2bxcB-2eyqA:
undetectable		 2bxcB-2eyqA:
20.27
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.
2fd5 TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N) 		5 GLU A  32
LEU A  13
LEU A  54
ALA A  25
ALA A  19
 None
 1.41A 2bxcB-2fd5A:
1.8		 2bxcB-2fd5A:
16.12
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		5 LEU A 237
LEU A 204
ARG A 172
ALA A 152
ALA A 186
 None
 1.11A 2bxcB-2gsnA:
undetectable		 2bxcB-2gsnA:
18.24
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.
2i6e HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02621
(VitK2_biosynth) 		5 GLU A 134
LEU A  95
LEU A 104
ARG A 106
ALA A 108
 None
 1.37A 2bxcB-2i6eA:
undetectable		 2bxcB-2i6eA:
19.80
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		5 GLU A 141
LEU A  89
LEU A  35
ARG A 173
ALA A  14
 None
 1.38A 2bxcB-2imhA:
undetectable		 2bxcB-2imhA:
16.72
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLU A 115
LEU A   1
ARG A   4
LEU A  77
ALA A  70
 None
SO4  A 776 (-3.7A)
SO4  A 776 (-3.8A)
None
None
 1.06A 2bxcB-2nsmA:
undetectable		 2bxcB-2nsmA:
19.84
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 GLU A 198
LEU A 129
LEU A 138
ARG A  81
ALA A  83
 None
 1.31A 2bxcB-2pg8A:
undetectable		 2bxcB-2pg8A:
23.04
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.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 GLU A  71
LEU A 350
LEU A  57
ALA A  64
ALA A 308
 None
 1.17A 2bxcB-2xn6A:
undetectable		 2bxcB-2xn6A:
19.86
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 411
LEU A 441
HIS A 432
ALA A 424
ALA A 417
 None
 1.43A 2bxcB-2yquA:
undetectable		 2bxcB-2yquA:
21.75
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.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 GLU A 238
LEU A 482
LEU A 227
ARG A 464
ALA A 463
 None
 1.49A 2bxcB-3f8tA:
undetectable		 2bxcB-3f8tA:
22.42
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.
3if2 AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00155
(Aminotran_1_2) 		5 LEU A  91
LEU A 110
ARG A 309
ALA A 313
ALA A  86
 None
 1.28A 2bxcB-3if2A:
undetectable		 2bxcB-3if2A:
21.52
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.
3k5w CARBOHYDRATE KINASE

(Helicobacter
pylori) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 GLU A  28
LEU A  39
ARG A  66
ALA A  65
ALA A  31
 None
 1.45A 2bxcB-3k5wA:
1.0		 2bxcB-3k5wA:
22.92
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.
3ll3 GLUCONATE KINASE

(Lactobacillus
acidophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 289
ARG A 264
HIS A  79
ARG A 342
ALA A 343
 None
XUL  A7778 ( 4.7A)
XUL  A7778 (-4.0A)
XUL  A7778 ( 3.1A)
None
 1.44A 2bxcB-3ll3A:
undetectable		 2bxcB-3ll3A:
22.74
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.
3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 TYR A1046
LEU A 967
LEU A 963
ARG A1042
ALA A 906
 None
 1.23A 2bxcB-3mpxA:
undetectable		 2bxcB-3mpxA:
23.97
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 GLU A 461
LEU A 236
LEU A  74
HIS A  20
ALA A  69
 None
 1.40A 2bxcB-3nksA:
undetectable		 2bxcB-3nksA:
22.08
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.
3op0 SIGNAL TRANSDUCTION
PROTEIN CBL-C

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		5 GLU A  13
LEU A  55
LEU A  80
ALA A  85
ALA A  17
 None
 1.36A 2bxcB-3op0A:
undetectable		 2bxcB-3op0A:
18.49
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		5 LEU A 238
LEU A  23
HIS A 198
ALA A  93
ALA A 101
 None
 1.30A 2bxcB-3pbkA:
undetectable		 2bxcB-3pbkA:
20.91
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.
3r2h BACTERIOFERRITIN

(Pseudomonas
aeruginosa) 		PF00210
(Ferritin) 		5 TYR A  25
LEU A 138
LEU A 134
HIS A 130
ALA A  88
 None
 1.20A 2bxcB-3r2hA:
undetectable		 2bxcB-3r2hA:
15.68
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.
3rcm TATD FAMILY
HYDROLASE

(Pseudomonas
putida) 		PF01026
(TatD_DNase) 		5 GLU A 286
LEU A  54
LEU A  10
ALA A 230
ALA A  21
 None
 1.43A 2bxcB-3rcmA:
undetectable		 2bxcB-3rcmA:
19.35
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.
3rlf MALTOSE TRANSPORT
SYSTEM PERMEASE
PROTEIN MALG
MALTOSE/MALTODEXTRIN
IMPORT ATP-BINDING
PROTEIN MALK

(Escherichia
coli) 		PF00005
(ABC_tran)
PF00528
(BPD_transp_1)
PF08402
(TOBE_2) 		5 GLU G 189
LEU A  90
HIS A  89
ALA A  85
ALA G 192
 None
 1.30A 2bxcB-3rlfG:
undetectable		 2bxcB-3rlfG:
18.37
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 TYR A 483
LEU A 489
LEU A 487
ALA A 506
ALA A 462
 None
None
ADP  A 800 ( 4.3A)
None
None
 1.47A 2bxcB-3viuA:
undetectable		 2bxcB-3viuA:
22.44
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.
3x1o ROQUIN-1

(Homo sapiens) 		no annotation 5 GLU A 293
LEU A 179
LEU A 183
ARG A 190
ALA A 294
 None
 1.50A 2bxcB-3x1oA:
2.4		 2bxcB-3x1oA:
16.95
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.
4amm DYNE8

(Micromonospora
chersina) 		PF00698
(Acyl_transf_1) 		5 LEU A 491
LEU A 566
HIS A 549
ARG A 556
ALA A 863
 None
 1.20A 2bxcB-4ammA:
undetectable		 2bxcB-4ammA:
20.78
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLU A1592
LEU A1650
LEU A1664
HIS A1642
ARG A1617
 None
 1.48A 2bxcB-4c6oA:
undetectable		 2bxcB-4c6oA:
20.74
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.
4hz2 GLUTATHIONE
S-TRANSFERASE DOMAIN

(Xanthobacter
autotrophicus) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 LEU A 175
LEU A 136
HIS A 101
ALA A 129
ALA A 171
 None
 1.28A 2bxcB-4hz2A:
undetectable		 2bxcB-4hz2A:
16.18
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.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		5 GLU C 193
LEU C  14
LEU C 114
ARG C 113
ALA C 109
 None
 1.22A 2bxcB-4iitC:
undetectable		 2bxcB-4iitC:
18.00
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.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 GLU A1018
LEU A1068
LEU A1010
ALA A1029
ALA A1091
 None
 1.33A 2bxcB-4o9rA:
undetectable		 2bxcB-4o9rA:
21.99
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.
4on3 SORTING NEXIN-10

(Homo sapiens) 		PF00787
(PX) 		5 GLU A   9
LEU A 121
LEU A 106
ALA A 109
ALA A  42
 None
NA  A 315 (-4.5A)
None
None
None
 1.19A 2bxcB-4on3A:
undetectable		 2bxcB-4on3A:
15.87
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.
4p72 PHENYLALANINE--TRNA
LIGASE BETA SUBUNIT

(Pseudomonas
aeruginosa) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ARG A 238
LEU A 150
ARG A 147
ALA A 153
ALA A  39
 None
 1.39A 2bxcB-4p72A:
undetectable		 2bxcB-4p72A:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		8 TYR A 150
GLU A 153
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
ALA A 261
 None
 0.69A 2bxcB-4po0A:
46.0		 2bxcB-4po0A:
74.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		5 TYR A 150
GLU A 153
LEU A 238
HIS A 242
ALA A 258
 None
 1.04A 2bxcB-4po0A:
46.0		 2bxcB-4po0A:
74.32
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 273
LEU A  33
LEU A  37
ALA A  98
ALA A  91
 None
 1.45A 2bxcB-4zyjA:
2.5		 2bxcB-4zyjA:
20.26
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.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 TYR A 296
GLU A 295
LEU A  87
LEU A  33
ALA A  54
 None
 1.16A 2bxcB-5czjA:
undetectable		 2bxcB-5czjA:
20.93
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.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 TYR A 296
LEU A  87
LEU A  33
ALA A  54
ALA A  47
 None
 1.38A 2bxcB-5czjA:
undetectable		 2bxcB-5czjA:
20.93
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran)
PF02361
(CbiQ) 		5 GLU B  95
LEU B 160
LEU B 169
ALA D 180
ALA B 155
 None
 1.46A 2bxcB-5d3mB:
undetectable		 2bxcB-5d3mB:
19.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		8 TYR A 149
GLU A 152
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 260
ALA A 290
 PG4  A 602 (-4.9A)
None
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
PG4  A 602 ( 3.9A)
PG4  A 602 (-3.4A)
 0.51A 2bxcB-5dqfA:
46.4		 2bxcB-5dqfA:
76.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		6 TYR A 149
GLU A 152
LEU A 237
HIS A 241
ARG A 256
ALA A 257
 PG4  A 602 (-4.9A)
None
PG4  A 602 (-4.7A)
PG4  A 602 (-4.0A)
PG4  A 602 (-4.1A)
None
 1.22A 2bxcB-5dqfA:
46.4		 2bxcB-5dqfA:
76.42
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 GLU A 742
LEU A 697
LEU A 738
ALA A 546
ALA A 589
 None
 1.34A 2bxcB-5g0hA:
undetectable		 2bxcB-5g0hA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		7 TYR A 150
GLU A 153
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ALA A 291
 None
 1.14A 2bxcB-5ghkA:
45.1		 2bxcB-5ghkA:
79.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		8 TYR A 150
LEU A 219
ARG A 222
LEU A 238
HIS A 242
ARG A 257
ALA A 261
ALA A 291
 None
 0.65A 2bxcB-5ghkA:
45.1		 2bxcB-5ghkA:
79.97
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 GLU A 361
LEU A 109
LEU A 382
HIS A   0
ALA A 368
 None
 1.44A 2bxcB-5kkgA:
1.4		 2bxcB-5kkgA:
23.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 6 GLU A 152
ARG A 217
LEU A 237
ARG A 256
ALA A 260
ALA A 290
 None
 1.34A 2bxcB-5oriA:
45.3		 2bxcB-5oriA:
74.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 8 TYR A 149
GLU A 152
LEU A 218
LEU A 237
HIS A 241
ARG A 256
ALA A 260
ALA A 290
 None
 0.67A 2bxcB-5oriA:
45.3		 2bxcB-5oriA:
74.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ori ALBUMIN

(Capra hircus) 		no annotation 5 TYR A 149
LEU A 237
HIS A 241
ARG A 256
ALA A 257
 None
 1.25A 2bxcB-5oriA:
45.3		 2bxcB-5oriA:
74.66
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 GLU A 394
LEU A  70
LEU A 370
ARG A 387
ALA A 386
 None
 1.43A 2bxcB-5ta1A:
undetectable		 2bxcB-5ta1A:
21.85
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 TYR A  39
LEU A 614
HIS A   8
ARG A 610
ALA A 609
 None
 1.16A 2bxcB-5vncA:
undetectable		 2bxcB-5vncA:
7.99
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6)
PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 LEU A 581
LEU C 140
HIS C 144
ALA A 567
ALA A 563
 None
 1.29A 2bxcB-5xfaA:
undetectable		 2bxcB-5xfaA:
22.12
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.
5yxe SERUM ALBUMIN

(Felis catus) 		no annotation 7 TYR A 150
GLU A 153
LEU A 219
LEU A 238
HIS A 242
ARG A 257
ALA A 261
 None
 0.52A 2bxcB-5yxeA:
47.3		 2bxcB-5yxeA:
11.11
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLU B 203
LEU B 418
LEU B 197
ALA B 511
ALA B 501
 None
 1.50A 2bxcB-6f0kB:
undetectable		 2bxcB-6f0kB:
9.52