SIMILAR PATTERNS OF AMINO ACIDS FOR 3ZQ8_A_DVAA8_0

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.
1b0y PROTEIN (HIPIP)

(Allochromatium
vinosum) 		PF01355
(HIPIP) 		3 VAL A  73
TRP A  76
TRP A  80
 None
 1.27A 3zq8A-1b0yA:
undetectable
3zq8B-1b0yA:
undetectable		 3zq8A-1b0yA:
8.64
3zq8B-1b0yA:
8.64
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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 VAL A 108
TRP A 301
TRP A 112
 None
 1.08A 3zq8A-1bt2A:
undetectable
3zq8B-1bt2A:
undetectable		 3zq8A-1bt2A:
3.92
3zq8B-1bt2A:
3.92
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.
1c3a FLAVOCETIN-A: ALPHA
SUBUNIT

(Protobothrops
flavoviridis) 		PF00059
(Lectin_C) 		3 VAL A 128
TRP A  25
TRP A  69
 None
 1.12A 3zq8A-1c3aA:
undetectable
3zq8B-1c3aA:
undetectable		 3zq8A-1c3aA:
8.55
3zq8B-1c3aA:
8.55
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.
1clx XYLANASE A

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10) 		3 VAL A 249
TRP A 305
TRP A 313
 None
 1.33A 3zq8A-1clxA:
undetectable
3zq8B-1clxA:
undetectable		 3zq8A-1clxA:
8.70
3zq8B-1clxA:
8.70
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.
1dv8 ASIALOGLYCOPROTEIN
RECEPTOR 1

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL A 275
TRP A 174
TRP A 210
 None
 1.15A 3zq8A-1dv8A:
undetectable
3zq8B-1dv8A:
undetectable		 3zq8A-1dv8A:
15.94
3zq8B-1dv8A:
15.94
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.
1eqc EXO-(B)-(1,3)-GLUCAN
ASE

(Candida
albicans) 		PF00150
(Cellulase) 		3 VAL A  25
TRP A  74
TRP A  23
 None
 1.19A 3zq8A-1eqcA:
undetectable
3zq8B-1eqcA:
undetectable		 3zq8A-1eqcA:
4.33
3zq8B-1eqcA:
4.33
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.
1gn4 SUPEROXIDE DISMUTASE

(Mycobacterium
tuberculosis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 VAL A  74
TRP A  79
TRP A  80
 None
 1.15A 3zq8A-1gn4A:
undetectable
3zq8B-1gn4A:
undetectable		 3zq8A-1gn4A:
5.52
3zq8B-1gn4A:
5.52
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.
1gz2 OVOCLEIDIN-17

(Gallus gallus) 		PF00059
(Lectin_C) 		3 VAL A 137
TRP A  26
TRP A  76
 None
 1.27A 3zq8A-1gz2A:
undetectable
3zq8B-1gz2A:
undetectable		 3zq8A-1gz2A:
13.41
3zq8B-1gz2A:
13.41
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		3 VAL A 843
TRP A 688
TRP A 690
 None
 1.15A 3zq8A-1hn0A:
undetectable
3zq8B-1hn0A:
undetectable		 3zq8A-1hn0A:
1.98
3zq8B-1hn0A:
1.98
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.
1ijk BOTROCETIN

(Bothrops
jararaca) 		PF00059
(Lectin_C) 		3 VAL B 127
TRP B  23
TRP B  68
 None
 1.13A 3zq8A-1ijkB:
undetectable
3zq8B-1ijkB:
undetectable		 3zq8A-1ijkB:
12.20
3zq8B-1ijkB:
12.20
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.
1ixx COAGULATION FACTORS
IX/X-BINDING PROTEIN

(Protobothrops
flavoviridis) 		PF00059
(Lectin_C) 		3 VAL A 126
TRP A  23
TRP A  67
 None
 1.14A 3zq8A-1ixxA:
undetectable
3zq8B-1ixxA:
undetectable		 3zq8A-1ixxA:
11.49
3zq8B-1ixxA:
11.49
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.
1jwi PLATELET AGGREGATION
INDUCER

(Bitis arietans) 		PF00059
(Lectin_C) 		3 VAL B 120
TRP B  25
TRP B  67
 None
 1.08A 3zq8A-1jwiB:
undetectable
3zq8B-1jwiB:
undetectable		 3zq8A-1jwiB:
13.41
3zq8B-1jwiB:
13.41
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.
1m56 CYTOCHROME C OXIDASE

(Rhodobacter
sphaeroides) 		PF00510
(COX3) 		3 VAL C  63
TRP C  58
TRP C  59
 PEH  C2008 (-4.2A)
None
PEH  C2008 ( 3.9A)
 1.16A 3zq8A-1m56C:
undetectable
3zq8B-1m56C:
undetectable		 3zq8A-1m56C:
5.35
3zq8B-1m56C:
5.35
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.
1oij PUTATIVE
ALKYLSULFATASE ATSK

(Pseudomonas
putida) 		PF02668
(TauD) 		3 VAL C 136
TRP C 247
TRP C 249
 None
 1.43A 3zq8A-1oijC:
undetectable
3zq8B-1oijC:
undetectable		 3zq8A-1oijC:
4.84
3zq8B-1oijC:
4.84
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.
1oz7 ECHICETIN B-CHAIN

(Echis carinatus) 		PF00059
(Lectin_C) 		3 VAL B 118
TRP B  23
TRP B  65
 None
 1.17A 3zq8A-1oz7B:
undetectable
3zq8B-1oz7B:
undetectable		 3zq8A-1oz7B:
26.67
3zq8B-1oz7B:
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.
1qdd LITHOSTATHINE

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL A 139
TRP A  35
TRP A  77
 None
 1.14A 3zq8A-1qddA:
undetectable
3zq8B-1qddA:
undetectable		 3zq8A-1qddA:
17.54
3zq8B-1qddA:
17.54
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.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1) 		3 VAL A 345
TRP A 327
TRP A 323
 None
 1.42A 3zq8A-1sxjA:
undetectable
3zq8B-1sxjA:
undetectable		 3zq8A-1sxjA:
3.27
3zq8B-1sxjA:
3.27
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.
1u0o BOTROCETIN

(Bothrops
jararaca) 		PF00059
(Lectin_C) 		3 VAL B 320
TRP B 223
TRP B 265
 None
 1.26A 3zq8A-1u0oB:
undetectable
3zq8B-1u0oB:
undetectable		 3zq8A-1u0oB:
9.17
3zq8B-1u0oB:
9.17
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.
1ucd RIBONUCLEASE MC

(Momordica
charantia) 		PF00445
(Ribonuclease_T2) 		3 VAL A  72
TRP A  81
TRP A  69
 U5P  A 500 (-3.3A)
None
None
 1.17A 3zq8A-1ucdA:
undetectable
3zq8B-1ucdA:
undetectable		 3zq8A-1ucdA:
11.84
3zq8B-1ucdA:
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.
1ukm EMS16 A CHAIN

(Echis
multisquamatus) 		PF00059
(Lectin_C) 		3 VAL A 128
TRP A  25
TRP A  69
 None
 1.20A 3zq8A-1ukmA:
undetectable
3zq8B-1ukmA:
undetectable		 3zq8A-1ukmA:
9.91
3zq8B-1ukmA:
9.91
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.
1umr CONVULXIN BETA

(Crotalus
durissus) 		PF00059
(Lectin_C) 		3 VAL C 320
TRP C 225
TRP C 267
 None
 1.06A 3zq8A-1umrC:
undetectable
3zq8B-1umrC:
undetectable		 3zq8A-1umrC:
10.19
3zq8B-1umrC:
10.19
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		3 VAL A 265
TRP A 328
TRP A 336
 None
XYS  A1376 ( 4.1A)
XYS  A1376 ( 3.9A)
 1.29A 3zq8A-1ur1A:
undetectable
3zq8B-1ur1A:
undetectable		 3zq8A-1ur1A:
5.46
3zq8B-1ur1A:
5.46
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.
1us2 ENDO-BETA-1,4-XYLANA
SE

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10)
PF03426
(CBM_15) 		3 VAL A 500
TRP A 552
TRP A 560
 None
XYP  A1609 ( 4.1A)
XYP  A1609 ( 4.0A)
 1.33A 3zq8A-1us2A:
undetectable
3zq8B-1us2A:
undetectable		 3zq8A-1us2A:
3.14
3zq8B-1us2A:
3.14
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.
1v4l MUCROCETIN BETA
CHAIN

(Protobothrops
mucrosquamatus) 		PF00059
(Lectin_C) 		3 VAL B 320
TRP B 225
TRP B 267
 None
 1.20A 3zq8A-1v4lB:
undetectable
3zq8B-1v4lB:
undetectable		 3zq8A-1v4lB:
8.00
3zq8B-1v4lB:
8.00
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.
1wt9 ANTICOAGULANT
PROTEIN-B

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		3 VAL B 118
TRP B  23
TRP B  65
 None
 1.15A 3zq8A-1wt9B:
undetectable
3zq8B-1wt9B:
undetectable		 3zq8A-1wt9B:
13.75
3zq8B-1wt9B:
13.75
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.
1x2w COAGULATION FACTOR
IX/FACTOR X-BINDING
PROTEIN B CHAIN

(Protobothrops
flavoviridis) 		PF00059
(Lectin_C) 		3 VAL B 118
TRP B  23
TRP B  65
 None
 1.11A 3zq8A-1x2wB:
undetectable
3zq8B-1x2wB:
undetectable		 3zq8A-1x2wB:
13.75
3zq8B-1x2wB:
13.75
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.
1x2w COAGULATION FACTOR
IX/X-BINDING PROTEIN
A CHAIN

(Protobothrops
flavoviridis) 		PF00059
(Lectin_C) 		3 VAL A 126
TRP A  23
TRP A  67
 None
 1.08A 3zq8A-1x2wA:
undetectable
3zq8B-1x2wA:
undetectable		 3zq8A-1x2wA:
10.43
3zq8B-1x2wA:
10.43
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.
1y17 ANTICOAGULANT
PROTEIN A

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		3 VAL A 126
TRP A  23
TRP A  67
 None
 1.20A 3zq8A-1y17A:
undetectable
3zq8B-1y17A:
undetectable		 3zq8A-1y17A:
9.57
3zq8B-1y17A:
9.57
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF04744
(Monooxygenase_B)
PF02461
(AMO) 		3 VAL A 200
TRP A 206
TRP B  87
 None
 1.38A 3zq8A-1yewA:
undetectable
3zq8B-1yewA:
undetectable		 3zq8A-1yewA:
3.53
3zq8B-1yewA:
3.53
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		3 VAL A 470
TRP A 288
TRP A 280
 None
 1.11A 3zq8A-1zcjA:
undetectable
3zq8B-1zcjA:
undetectable		 3zq8A-1zcjA:
3.14
3zq8B-1zcjA:
3.14
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.
2afp PROTEIN (SEA RAVEN
TYPE II ANTIFREEZE
PROTEIN)

(Hemitripterus
americanus) 		PF00059
(Lectin_C) 		3 VAL A 124
TRP A  28
TRP A  63
 None
 1.25A 3zq8A-2afpA:
undetectable
3zq8B-2afpA:
undetectable		 3zq8A-2afpA:
10.62
3zq8B-2afpA:
10.62
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.
2ams HIGH POTENTIAL
IRON-SULFUR PROTEIN

(Allochromatium
vinosum) 		PF01355
(HIPIP) 		3 VAL A  71
TRP A  74
TRP A  78
 None
 1.21A 3zq8A-2amsA:
undetectable
3zq8B-2amsA:
undetectable		 3zq8A-2amsA:
10.96
3zq8B-2amsA:
10.96
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.
2e1m L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase) 		3 VAL A 247
TRP A 266
TRP A 262
 None
 1.25A 3zq8A-2e1mA:
undetectable
3zq8B-2e1mA:
undetectable		 3zq8A-2e1mA:
4.90
3zq8B-2e1mA:
4.90
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1

(Daboia
siamensis) 		PF00059
(Lectin_C) 		3 VAL C 120
TRP C  25
TRP C  67
 None
 1.11A 3zq8A-2e3xC:
undetectable
3zq8B-2e3xC:
undetectable		 3zq8A-2e3xC:
13.51
3zq8B-2e3xC:
13.51
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		3 VAL B 126
TRP B  23
TRP B  67
 None
 1.28A 3zq8A-2e3xB:
undetectable
3zq8B-2e3xB:
undetectable		 3zq8A-2e3xB:
10.00
3zq8B-2e3xB:
10.00
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.
2f8q ALKALINE
THERMOSTABLE
ENDOXYLANASE

(Bacillus sp.
NG-27) 		PF00331
(Glyco_hydro_10) 		3 VAL A 262
TRP A 311
TRP A 319
 None
 1.34A 3zq8A-2f8qA:
undetectable
3zq8B-2f8qA:
undetectable		 3zq8A-2f8qA:
3.78
3zq8B-2f8qA:
3.78
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.
2go0 REGENERATING
ISLET-DERIVED
PROTEIN 3 ALPHA

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL A 132
TRP A  23
TRP A  65
 None
 1.30A 3zq8A-2go0A:
undetectable
3zq8B-2go0A:
undetectable		 3zq8A-2go0A:
9.41
3zq8B-2go0A:
9.41
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.
2h2t LOW AFFINITY
IMMUNOGLOBULIN
EPSILON FC RECEPTOR
(LYMPHOCYTE IGE
RECEPTOR)
(FC-EPSILON-RII)
(IMMUNOGLOBULIN
E-BINDING FACTOR)
(CD23 ANTIGEN)

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL B 281
TRP B 184
TRP B 220
 None
 1.21A 3zq8A-2h2tB:
undetectable
3zq8B-2h2tB:
undetectable		 3zq8A-2h2tB:
4.38
3zq8B-2h2tB:
4.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2knc INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF00357
(Integrin_alpha)
PF08725
(Integrin_b_cyt) 		3 VAL A 990
TRP B 715
TRP A 988
 None
 1.44A 3zq8A-2kncA:
undetectable
3zq8B-2kncA:
undetectable		 3zq8A-2kncA:
36.84
3zq8B-2kncA:
36.84
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.
2m9l BETA-THERAPHOTOXIN-T
P1A

(Thrixopelma
pruriens) 		PF07740
(Toxin_12) 		3 VAL A  20
TRP A   5
TRP A  27
 None
 1.41A 3zq8A-2m9lA:
undetectable
3zq8B-2m9lA:
undetectable		 3zq8A-2m9lA:
14.29
3zq8B-2m9lA:
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.
2m9l BETA-THERAPHOTOXIN-T
P1A

(Thrixopelma
pruriens) 		PF07740
(Toxin_12) 		3 VAL A  20
TRP A  27
TRP A   5
 None
 1.34A 3zq8A-2m9lA:
undetectable
3zq8B-2m9lA:
undetectable		 3zq8A-2m9lA:
14.29
3zq8B-2m9lA:
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 VAL A 107
TRP A 298
TRP A 111
 None
 1.03A 3zq8A-2p3xA:
undetectable
3zq8B-2p3xA:
undetectable		 3zq8A-2p3xA:
4.02
3zq8B-2p3xA:
4.02
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 VAL A 391
TRP A 181
TRP A 400
 None
 1.24A 3zq8A-2qjjA:
undetectable
3zq8B-2qjjA:
undetectable		 3zq8A-2qjjA:
3.73
3zq8B-2qjjA:
3.73
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.
2vrp AGGRETIN BETA CHAIN

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		3 VAL B 118
TRP B  23
TRP B  65
 None
 1.18A 3zq8A-2vrpB:
undetectable
3zq8B-2vrpB:
undetectable		 3zq8A-2vrpB:
12.50
3zq8B-2vrpB:
12.50
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.
3bx4 AGGRETIN BETA CHAIN

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		3 VAL B 118
TRP B  23
TRP B  65
 None
 1.10A 3zq8A-3bx4B:
undetectable
3zq8B-3bx4B:
undetectable		 3zq8A-3bx4B:
9.71
3zq8B-3bx4B:
9.71
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.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 3 VAL A 203
TRP A  42
TRP A 165
 None
None
FAD  A 401 (-4.0A)
 0.82A 3zq8A-3c4aA:
undetectable
3zq8B-3c4aA:
undetectable		 3zq8A-3c4aA:
4.76
3zq8B-3c4aA:
4.76
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 3 VAL A 246
TRP A 225
TRP A 243
 None
 1.19A 3zq8A-3csqA:
undetectable
3zq8B-3csqA:
undetectable		 3zq8A-3csqA:
3.45
3zq8B-3csqA:
3.45
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 3 VAL A 246
TRP A 243
TRP A 225
 None
 1.27A 3zq8A-3csqA:
undetectable
3zq8B-3csqA:
undetectable		 3zq8A-3csqA:
3.45
3zq8B-3csqA:
3.45
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.
3ew2 RHIZAVIDIN

(Rhizobium etli) 		PF01382
(Avidin) 		3 VAL A  99
TRP A  85
TRP A 102
 None
BTN  A 400 ( 4.7A)
BTN  A 400 (-3.3A)
 1.12A 3zq8A-3ew2A:
undetectable
3zq8B-3ew2A:
undetectable		 3zq8A-3ew2A:
13.64
3zq8B-3ew2A:
13.64
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.
3ew2 RHIZAVIDIN

(Rhizobium etli) 		PF01382
(Avidin) 		3 VAL A  99
TRP A 102
TRP A  85
 None
BTN  A 400 (-3.3A)
BTN  A 400 ( 4.7A)
 0.81A 3zq8A-3ew2A:
undetectable
3zq8B-3ew2A:
undetectable		 3zq8A-3ew2A:
13.64
3zq8B-3ew2A:
13.64
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.
3ff7 KILLER CELL
LECTIN-LIKE RECEPTOR
SUBFAMILY G MEMBER 1

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL C 183
TRP C  96
TRP C 132
 None
 1.21A 3zq8A-3ff7C:
undetectable
3zq8B-3ff7C:
undetectable		 3zq8A-3ff7C:
9.17
3zq8B-3ff7C:
9.17
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.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 3 VAL A 151
TRP A 176
TRP A 153
 None
 1.05A 3zq8A-3hftA:
undetectable
3zq8B-3hftA:
undetectable		 3zq8A-3hftA:
9.45
3zq8B-3hftA:
9.45
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.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 3 VAL A 203
TRP A 153
TRP A 176
 None
 1.42A 3zq8A-3hftA:
undetectable
3zq8B-3hftA:
undetectable		 3zq8A-3hftA:
9.45
3zq8B-3hftA:
9.45
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		3 VAL A 376
TRP A 312
TRP A 378
 None
 1.32A 3zq8A-3kehA:
undetectable
3zq8B-3kehA:
undetectable		 3zq8A-3kehA:
9.02
3zq8B-3kehA:
9.02
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.
3msg INTRA-CELLULAR
XYLANASE IXT6

(Geobacillus
stearothermophilus) 		PF00331
(Glyco_hydro_10) 		3 VAL A 244
TRP A 291
TRP A 299
 None
XYP  A 450 ( 4.1A)
XYP  A 450 ( 4.0A)
 1.37A 3zq8A-3msgA:
undetectable
3zq8B-3msgA:
undetectable		 3zq8A-3msgA:
4.10
3zq8B-3msgA:
4.10
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		3 VAL B 239
TRP B 243
TRP B 244
 None
GRG  B 334 ( 4.8A)
GRG  B 334 ( 3.8A)
 1.37A 3zq8A-3pz2B:
undetectable
3zq8B-3pz2B:
undetectable		 3zq8A-3pz2B:
4.01
3zq8B-3pz2B:
4.01
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 3 VAL C 294
TRP C 291
TRP C 180
 None
 1.30A 3zq8A-3r0qC:
undetectable
3zq8B-3r0qC:
undetectable		 3zq8A-3r0qC:
5.67
3zq8B-3r0qC:
5.67
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		3 VAL A 249
TRP A 298
TRP A 251
 None
 1.00A 3zq8A-3rjyA:
undetectable
3zq8B-3rjyA:
undetectable		 3zq8A-3rjyA:
2.85
3zq8B-3rjyA:
2.85
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.
3t2x AVIDIN/STREPTAVIDIN

(Shewanella
denitrificans) 		PF01382
(Avidin) 		3 VAL A 116
TRP A  80
TRP A  97
 None
 1.24A 3zq8A-3t2xA:
undetectable
3zq8B-3t2xA:
undetectable		 3zq8A-3t2xA:
12.94
3zq8B-3t2xA:
12.94
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.
3t2x AVIDIN/STREPTAVIDIN

(Shewanella
denitrificans) 		PF01382
(Avidin) 		3 VAL A 116
TRP A  97
TRP A  80
 None
 1.09A 3zq8A-3t2xA:
undetectable
3zq8B-3t2xA:
undetectable		 3zq8A-3t2xA:
12.94
3zq8B-3t2xA:
12.94
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.
3ta7 ATP-DEPENDENT DNA
LIGASE, N-TERMINAL
DOMAIN PROTEIN

(Candidatus
Korarchaeum
cryptofilum) 		PF13298
(LigD_N) 		3 VAL A  72
TRP A  75
TRP A  16
 None
 1.21A 3zq8A-3ta7A:
undetectable
3zq8B-3ta7A:
undetectable		 3zq8A-3ta7A:
10.39
3zq8B-3ta7A:
10.39
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.
3ubu AGGLUCETIN SUBUNIT
ALPHA-1

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		3 VAL A 126
TRP A  25
TRP A  67
 None
 1.17A 3zq8A-3ubuA:
undetectable
3zq8B-3ubuA:
undetectable		 3zq8A-3ubuA:
9.23
3zq8B-3ubuA:
9.23
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.
3ubu AGGLUCETIN SUBUNIT
BETA-2

(Deinagkistrodon
acutus) 		PF00059
(Lectin_C) 		3 VAL B 121
TRP B  25
TRP B  67
 None
 1.10A 3zq8A-3ubuB:
undetectable
3zq8B-3ubuB:
undetectable		 3zq8A-3ubuB:
9.17
3zq8B-3ubuB:
9.17
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.
3ui2 SIGNAL RECOGNITION
PARTICLE 43 KDA
PROTEIN,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF12796
(Ank_2) 		3 VAL A 125
TRP A 132
TRP A 133
 None
 1.43A 3zq8A-3ui2A:
undetectable
3zq8B-3ui2A:
undetectable		 3zq8A-3ui2A:
5.80
3zq8B-3ui2A:
5.80
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 VAL A 391
TRP A 181
TRP A 400
 None
 1.27A 3zq8A-3v4bA:
undetectable
3zq8B-3v4bA:
undetectable		 3zq8A-3v4bA:
4.04
3zq8B-3v4bA:
4.04
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		3 VAL A 298
TRP A 292
TRP A 300
 None
XYP  A 401 (-4.2A)
XYP  A 402 (-4.1A)
 0.99A 3zq8A-3w25A:
undetectable
3zq8B-3w25A:
undetectable		 3zq8A-3w25A:
3.79
3zq8B-3w25A:
3.79
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		3 VAL A 298
TRP A 300
TRP A 292
 None
XYP  A 402 (-4.1A)
XYP  A 401 (-4.2A)
 1.30A 3zq8A-3w25A:
undetectable
3zq8B-3w25A:
undetectable		 3zq8A-3w25A:
3.79
3zq8B-3w25A:
3.79
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.
3wwk SNACLEC RHODOCYTIN
SUBUNIT ALPHA

(Calloselasma
rhodostoma) 		PF00059
(Lectin_C) 		3 VAL A 130
TRP A  26
TRP A  71
 None
 1.22A 3zq8A-3wwkA:
undetectable
3zq8B-3wwkA:
undetectable		 3zq8A-3wwkA:
8.09
3zq8B-3wwkA:
8.09
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		3 VAL A  41
TRP A 117
TRP A  45
 None
None
FAD  A 500 (-4.4A)
 1.18A 3zq8A-4d7eA:
undetectable
3zq8B-4d7eA:
undetectable		 3zq8A-4d7eA:
4.17
3zq8B-4d7eA:
4.17
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 VAL A 393
TRP A 183
TRP A 402
 None
None
GOL  A 505 (-4.6A)
 1.22A 3zq8A-4e4fA:
undetectable
3zq8B-4e4fA:
undetectable		 3zq8A-4e4fA:
2.65
3zq8B-4e4fA:
2.65
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.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		3 VAL A 166
TRP A 230
TRP A 144
 None
 1.13A 3zq8A-4ew6A:
undetectable
3zq8B-4ew6A:
undetectable		 3zq8A-4ew6A:
5.58
3zq8B-4ew6A:
5.58
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 VAL A 404
TRP A 194
TRP A 413
 None
 1.22A 3zq8A-4il2A:
undetectable
3zq8B-4il2A:
undetectable		 3zq8A-4il2A:
2.75
3zq8B-4il2A:
2.75
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.
4j6p LOW AFFINITY
IMMUNOGLOBULIN
EPSILON FC RECEPTOR

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL A 281
TRP A 184
TRP A 220
 None
 1.21A 3zq8A-4j6pA:
undetectable
3zq8B-4j6pA:
undetectable		 3zq8A-4j6pA:
10.00
3zq8B-4j6pA:
10.00
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.
4kbx UNCHARACTERIZED
PROTEIN YHFX

(Escherichia
coli) 		PF01168
(Ala_racemase_N) 		3 VAL A 362
TRP A 279
TRP A  31
 None
 1.36A 3zq8A-4kbxA:
undetectable
3zq8B-4kbxA:
undetectable		 3zq8A-4kbxA:
4.29
3zq8B-4kbxA:
4.29
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 VAL A 394
TRP A 184
TRP A 403
 None
 1.27A 3zq8A-4kwsA:
undetectable
3zq8B-4kwsA:
undetectable		 3zq8A-4kwsA:
3.41
3zq8B-4kwsA:
3.41
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		3 VAL A  44
TRP A  46
TRP A  51
 None
 1.35A 3zq8A-4m1rA:
undetectable
3zq8B-4m1rA:
undetectable		 3zq8A-4m1rA:
4.56
3zq8B-4m1rA:
4.56
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		3 VAL A  44
TRP A  51
TRP A  46
 None
 0.99A 3zq8A-4m1rA:
undetectable
3zq8B-4m1rA:
undetectable		 3zq8A-4m1rA:
4.56
3zq8B-4m1rA:
4.56
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		3 VAL A 303
TRP A 240
TRP A 280
 MLY  A 304 ( 3.2A)
MLY  A  89 ( 3.7A)
MLY  A  89 ( 4.8A)
 1.05A 3zq8A-4nk6A:
undetectable
3zq8B-4nk6A:
undetectable		 3zq8A-4nk6A:
3.34
3zq8B-4nk6A:
3.34
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.
4orz PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		3 VAL B 150
TRP B 106
TRP B 187
 None
 1.43A 3zq8A-4orzB:
undetectable
3zq8B-4orzB:
undetectable		 3zq8A-4orzB:
18.37
3zq8B-4orzB:
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		3 VAL A 303
TRP A 240
TRP A 280
 None
 1.11A 3zq8A-4ozyA:
undetectable
3zq8B-4ozyA:
undetectable		 3zq8A-4ozyA:
5.67
3zq8B-4ozyA:
5.67
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		3 VAL A 313
TRP A 263
TRP A 311
 None
 1.35A 3zq8A-4qfuA:
undetectable
3zq8B-4qfuA:
undetectable		 3zq8A-4qfuA:
5.02
3zq8B-4qfuA:
5.02
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		3 VAL A 161
TRP A 165
TRP A 163
 None
 1.14A 3zq8A-4xibA:
undetectable
3zq8B-4xibA:
undetectable		 3zq8A-4xibA:
6.49
3zq8B-4xibA:
6.49
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.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		3 VAL A 358
TRP A 259
TRP A 297
 None
 1.20A 3zq8A-5ao5A:
undetectable
3zq8B-5ao5A:
undetectable		 3zq8A-5ao5A:
3.25
3zq8B-5ao5A:
3.25
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.
5ay7 XYLANASE

(Aegilops
speltoides) 		PF00331
(Glyco_hydro_10) 		3 VAL A 299
TRP A 305
TRP A 297
 None
 1.43A 3zq8A-5ay7A:
undetectable
3zq8B-5ay7A:
undetectable		 3zq8A-5ay7A:
3.81
3zq8B-5ay7A:
3.81
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.
5cuy ACIDOCALCISOMAL
PYROPHOSPHATASE

(Trypanosoma
brucei) 		PF00719
(Pyrophosphatase) 		3 VAL A 295
TRP A 402
TRP A 201
 None
 1.12A 3zq8A-5cuyA:
undetectable
3zq8B-5cuyA:
undetectable		 3zq8A-5cuyA:
8.93
3zq8B-5cuyA:
8.93
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		3 VAL A 346
TRP A 341
TRP A 400
 HEM  A 501 ( 3.8A)
None
None
 1.15A 3zq8A-5djqA:
undetectable
3zq8B-5djqA:
undetectable		 3zq8A-5djqA:
3.73
3zq8B-5djqA:
3.73
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		3 VAL A 346
TRP A 400
TRP A 341
 HEM  A 501 ( 3.8A)
None
None
 1.13A 3zq8A-5djqA:
undetectable
3zq8B-5djqA:
undetectable		 3zq8A-5djqA:
3.73
3zq8B-5djqA:
3.73
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.
5i2u CELLULASE

(soil metagenome) 		PF00150
(Cellulase) 		3 VAL A  56
TRP A  58
TRP A  63
 None
 1.43A 3zq8A-5i2uA:
undetectable
3zq8B-5i2uA:
undetectable		 3zq8A-5i2uA:
5.51
3zq8B-5i2uA:
5.51
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		3 VAL A  71
TRP A  73
TRP A  78
 None
 1.16A 3zq8A-5ihsA:
undetectable
3zq8B-5ihsA:
undetectable		 3zq8A-5ihsA:
4.71
3zq8B-5ihsA:
4.71
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.
5ihs ENDOGLUCANASE,
GLYCOSIDE HYDROLASE
FAMILY 5 PROTEIN

(Cytophaga
hutchinsonii) 		PF00150
(Cellulase) 		3 VAL A  71
TRP A  78
TRP A  73
 None
 0.82A 3zq8A-5ihsA:
undetectable
3zq8B-5ihsA:
undetectable		 3zq8A-5ihsA:
4.71
3zq8B-5ihsA:
4.71
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.
5jpv ASIALOGLYCOPROTEIN
RECEPTOR 1

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL A 275
TRP A 174
TRP A 210
 None
 1.19A 3zq8A-5jpvA:
undetectable
3zq8B-5jpvA:
undetectable		 3zq8A-5jpvA:
12.82
3zq8B-5jpvA:
12.82
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
4,NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
4,NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
4,NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 4

(Bos taurus;
Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N)
PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		3 VAL m  98
TRP m 100
TRP M 267
 None
 1.33A 3zq8A-5lc5m:
undetectable
3zq8B-5lc5m:
undetectable		 3zq8A-5lc5m:
10.77
3zq8B-5lc5m:
10.77
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.
5lgk LOW AFFINITY
IMMUNOGLOBULIN
EPSILON FC RECEPTOR

(Homo sapiens) 		PF00059
(Lectin_C) 		3 VAL E 281
TRP E 184
TRP E 220
 None
 1.28A 3zq8A-5lgkE:
undetectable
3zq8B-5lgkE:
undetectable		 3zq8A-5lgkE:
8.25
3zq8B-5lgkE:
8.25
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		3 VAL A 315
TRP A 265
TRP A 313
 None
 1.37A 3zq8A-5msyA:
undetectable
3zq8B-5msyA:
undetectable		 3zq8A-5msyA:
3.53
3zq8B-5msyA:
3.53
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.
5wxi EARP

(Neisseria
meningitidis) 		no annotation 3 VAL A  46
TRP A  42
TRP A  71
 SO4  A 406 (-3.9A)
None
None
 1.17A 3zq8A-5wxiA:
undetectable
3zq8B-5wxiA:
undetectable		 3zq8A-5wxiA:
undetectable
3zq8B-5wxiA:
undetectable
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.
5xzu BETA-XYLANASE

(Bispora sp.
MEY-1) 		no annotation 3 VAL A 252
TRP A 289
TRP A 297
 None
CBI  A 404 (-4.0A)
CBI  A 404 (-4.2A)
 1.38A 3zq8A-5xzuA:
undetectable
3zq8B-5xzuA:
undetectable		 3zq8A-5xzuA:
undetectable
3zq8B-5xzuA:
undetectable
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 3 VAL A  81
TRP A  83
TRP A 109
 None
 1.16A 3zq8A-6c9mA:
undetectable
3zq8B-6c9mA:
undetectable		 3zq8A-6c9mA:
undetectable
3zq8B-6c9mA:
undetectable
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 3 VAL A  81
TRP A 109
TRP A  83
 None
 0.88A 3zq8A-6c9mA:
undetectable
3zq8B-6c9mA:
undetectable		 3zq8A-6c9mA:
undetectable
3zq8B-6c9mA:
undetectable
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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylomicrobium
alcaliphilum) 		no annotation 3 VAL B  75
TRP B  80
TRP B  81
 None
 0.80A 3zq8A-6cxhB:
undetectable
3zq8B-6cxhB:
undetectable		 3zq8A-6cxhB:
undetectable
3zq8B-6cxhB:
undetectable
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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT

(Methylomicrobium
alcaliphilum;
Methylomicrobium
alcaliphilum) 		no annotation
no annotation 		3 VAL A 200
TRP A 206
TRP B  87
 CM5  A 502 ( 4.9A)
None
None
 1.32A 3zq8A-6cxhA:
undetectable
3zq8B-6cxhA:
undetectable		 3zq8A-6cxhA:
undetectable
3zq8B-6cxhA:
undetectable