SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVQ_V_BO2V301_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.
1a17 SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00515
(TPR_1)
PF08321
(PPP5) 		5 SER A 105
GLY A  83
THR A  86
ALA A  85
ASP A 118
 None
 1.22A 4qvqV-1a17A:
undetectable
4qvqW-1a17A:
undetectable		 4qvqV-1a17A:
21.85
4qvqW-1a17A:
23.61
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 THR A 243
GLN A 612
GLY A 252
THR A 291
ASP A 535
 None
 1.17A 4qvqV-1c4kA:
undetectable
4qvqW-1c4kA:
undetectable		 4qvqV-1c4kA:
17.71
4qvqW-1c4kA:
15.96
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.
1i9r IMMUNOGLOBULIN H

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.85A 4qvqV-1i9rH:
0.0
4qvqW-1i9rH:
0.1		 4qvqV-1i9rH:
21.32
4qvqW-1i9rH:
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.
1pkq (8-18C5) CHIMERIC
FAB, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 188
GLY B 134
THR B 135
ALA B 136
THR B 131
 None
 0.88A 4qvqV-1pkqB:
undetectable
4qvqW-1pkqB:
undetectable		 4qvqV-1pkqB:
20.74
4qvqW-1pkqB:
24.05
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
LYS H  33
GLY H  47
THR H  48
ALA H  49
 None
 0.31A 4qvqV-1q5qH:
25.8
4qvqW-1q5qH:
24.4		 4qvqV-1q5qH:
26.48
4qvqW-1q5qH:
26.64
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.
1rzf FAB E51 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.94A 4qvqV-1rzfH:
0.0
4qvqW-1rzfH:
undetectable		 4qvqV-1rzfH:
19.46
4qvqW-1rzfH:
21.34
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER A 188
GLY A 134
THR A 135
ALA A 136
THR A 131
 None
 0.94A 4qvqV-1rzgA:
undetectable
4qvqW-1rzgA:
undetectable		 4qvqV-1rzgA:
21.74
4qvqW-1rzgA:
23.17
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.
1um4 ANTIBODY 21H3 H
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 194
GLY H 140
THR H 141
ALA H 142
THR H 137
 None
 0.81A 4qvqV-1um4H:
undetectable
4qvqW-1um4H:
0.0		 4qvqV-1um4H:
22.45
4qvqW-1um4H:
24.79
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.
1uwe ANTIBODY 14D9

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.85A 4qvqV-1uweH:
undetectable
4qvqW-1uweH:
undetectable		 4qvqV-1uweH:
22.48
4qvqW-1uweH:
23.63
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.
1uxz CELLULASE B

(Cellvibrio
mixtus) 		PF03422
(CBM_6) 		5 GLY A  91
THR A  94
ALA A  62
THR A  89
ASP A  24
 None
 1.21A 4qvqV-1uxzA:
undetectable
4qvqW-1uxzA:
undetectable		 4qvqV-1uxzA:
20.17
4qvqW-1uxzA:
20.49
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		5 SER 1 105
GLY 1  83
THR 1  86
ALA 1  85
ASP 1 118
 None
 1.21A 4qvqV-1wao1:
undetectable
4qvqW-1wao1:
undetectable		 4qvqV-1wao1:
18.84
4qvqW-1wao1:
17.82
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.
2b4c ANTI-HIV-1 GP120
IMMUNOGLOBULIN X5
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.88A 4qvqV-2b4cH:
undetectable
4qvqW-2b4cH:
undetectable		 4qvqV-2b4cH:
20.72
4qvqW-2b4cH:
21.86
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.
2eh7 HUMANIZED KR127 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.93A 4qvqV-2eh7H:
undetectable
4qvqW-2eh7H:
undetectable		 4qvqV-2eh7H:
21.43
4qvqW-2eh7H:
22.84
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
SER H 320
GLN H 322
LYS H 333
GLY H 347
ALA H 349
 None
 0.85A 4qvqV-2fhgH:
25.1
4qvqW-2fhgH:
23.9		 4qvqV-2fhgH:
26.85
4qvqW-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
SER H 320
LYS H 333
GLY H 347
THR H 348
ALA H 349
 None
 0.38A 4qvqV-2fhgH:
25.1
4qvqW-2fhgH:
23.9		 4qvqV-2fhgH:
26.85
4qvqW-2fhgH:
23.05
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.
2gre DEBLOCKING
AMINOPEPTIDASE

(Bacillus cereus) 		PF05343
(Peptidase_M42) 		5 THR A 334
SER A 190
GLY A 316
THR A 326
ASP A 186
 None
 1.31A 4qvqV-2greA:
undetectable
4qvqW-2greA:
undetectable		 4qvqV-2greA:
20.22
4qvqW-2greA:
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.
2hvv DEOXYCYTIDYLATE
DEAMINASE

(Streptococcus
mutans) 		PF00383
(dCMP_cyt_deam_1) 		5 THR A  23
GLN A  79
GLY A  47
ALA A  49
THR A  51
 None
None
SO4  A 151 (-4.6A)
SO4  A 151 ( 4.7A)
None
 1.36A 4qvqV-2hvvA:
undetectable
4qvqW-2hvvA:
undetectable		 4qvqV-2hvvA:
19.64
4qvqW-2hvvA:
21.30
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.
3brs PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 GLY A 204
THR A 203
ALA A 202
ASP A 224
CYH A 222
 None
 1.46A 4qvqV-3brsA:
undetectable
4qvqW-3brsA:
undetectable		 4qvqV-3brsA:
20.32
4qvqW-3brsA:
21.68
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.
3brs PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 THR A 181
GLY A 204
THR A 203
ALA A 202
ASP A 224
 None
 1.37A 4qvqV-3brsA:
undetectable
4qvqW-3brsA:
undetectable		 4qvqV-3brsA:
20.32
4qvqW-3brsA:
21.68
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.
3d85 FAB OF ANTIBODY
7G10, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 190
GLY B 136
THR B 137
ALA B 138
THR B 133
 None
 0.78A 4qvqV-3d85B:
undetectable
4qvqW-3d85B:
undetectable		 4qvqV-3d85B:
22.01
4qvqW-3d85B:
23.01
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.
3i9g SONEPCIZUMAB
ANTIBODY FAB
FRAGMENT, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.85A 4qvqV-3i9gH:
undetectable
4qvqW-3i9gH:
undetectable		 4qvqV-3i9gH:
20.55
4qvqW-3i9gH:
22.86
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.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 305
THR A 304
ALA A 268
ASP A 270
CYH A 300
 None
 1.47A 4qvqV-3ifrA:
undetectable
4qvqW-3ifrA:
undetectable		 4qvqV-3ifrA:
20.04
4qvqW-3ifrA:
18.69
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.
3lyk STRINGENT STARVATION
PROTEIN A HOMOLOG

(Haemophilus
influenzae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A  57
THR A  58
THR A  61
ASP A  19
CYH A  22
 None
 1.29A 4qvqV-3lykA:
undetectable
4qvqW-3lykA:
undetectable		 4qvqV-3lykA:
21.69
4qvqW-3lykA:
19.65
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
LYS N  33
GLY N  47
ALA N  49
THR N  52
 None
 0.62A 4qvqV-3mg6N:
29.4
4qvqW-3mg6N:
27.4		 4qvqV-3mg6N:
29.49
4qvqW-3mg6N:
23.00
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.
3oaz FAB 2G12, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 197
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.87A 4qvqV-3oazH:
undetectable
4qvqW-3oazH:
undetectable		 4qvqV-3oazH:
20.32
4qvqW-3oazH:
23.27
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.
3qo0 FAB FRAGMENT OF
IMMUNOGLOBULIN G1
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 194
GLY B 140
THR B 141
ALA B 142
THR B 137
 None
 0.89A 4qvqV-3qo0B:
undetectable
4qvqW-3qo0B:
undetectable		 4qvqV-3qo0B:
20.90
4qvqW-3qo0B:
22.27
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.
3qpx FAB C2507 HEAVY
CHAIN

(Homo sapiens;
Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 194
GLY H 140
THR H 141
ALA H 142
THR H 137
 None
 0.81A 4qvqV-3qpxH:
undetectable
4qvqW-3qpxH:
undetectable		 4qvqV-3qpxH:
20.90
4qvqW-3qpxH:
22.36
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.
3u1s FAB PGT145 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 193
GLY H 139
THR H 140
ALA H 141
THR H 136
 None
 0.85A 4qvqV-3u1sH:
undetectable
4qvqW-3u1sH:
undetectable		 4qvqV-3u1sH:
23.55
4qvqW-3u1sH:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
CYH H  31
LYS H  33
GLY H  47
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.64A 4qvqV-3unfH:
35.7
4qvqW-3unfH:
28.6		 4qvqV-3unfH:
46.78
4qvqW-3unfH:
23.83
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 GLY B 441
THR B 439
ALA B 438
THR B 459
ASP B 412
 None
 1.47A 4qvqV-3w0lB:
undetectable
4qvqW-3w0lB:
undetectable		 4qvqV-3w0lB:
17.80
4qvqW-3w0lB:
16.81
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 THR A 658
SER A 632
GLN A 597
GLY A 681
ALA A 677
 None
SO4  A 803 (-3.0A)
GLC  A 801 (-3.2A)
None
None
 1.24A 4qvqV-3wiqA:
undetectable
4qvqW-3wiqA:
0.7		 4qvqV-3wiqA:
16.69
4qvqW-3wiqA:
14.15
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.
4ayz HEME-BINDING PROTEIN
2

(Homo sapiens) 		PF04832
(SOUL) 		5 THR A  51
GLY A  65
THR A  64
ALA A  61
ASP A  57
 None
 1.50A 4qvqV-4ayzA:
undetectable
4qvqW-4ayzA:
undetectable		 4qvqV-4ayzA:
21.34
4qvqW-4ayzA:
21.66
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.
4f33 MORAB-009 FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 194
GLY B 140
THR B 141
ALA B 142
THR B 137
 None
 0.77A 4qvqV-4f33B:
undetectable
4qvqW-4f33B:
undetectable		 4qvqV-4f33B:
21.03
4qvqW-4f33B:
23.89
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.
4f88 PLYCA

(Streptococcus
virus C1) 		PF05257
(CHAP) 		5 THR 1 220
GLN 1 417
CYH 1 333
GLY 1 364
ALA 1 367
 None
 1.45A 4qvqV-4f881:
undetectable
4qvqW-4f881:
undetectable		 4qvqV-4f881:
20.04
4qvqW-4f881:
17.09
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.
4hfu FAB 8M2 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.94A 4qvqV-4hfuH:
undetectable
4qvqW-4hfuH:
undetectable		 4qvqV-4hfuH:
20.00
4qvqW-4hfuH:
21.81
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.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		5 THR A 199
GLY A  90
THR A  91
ALA A  92
ASP A 205
 None
PO4  A 400 (-3.6A)
PO4  A 400 (-3.5A)
None
None
 1.50A 4qvqV-4m7wA:
undetectable
4qvqW-4m7wA:
undetectable		 4qvqV-4m7wA:
23.27
4qvqW-4m7wA:
21.13
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.
4nlm LMO1340 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 THR A 137
SER A  92
THR A 115
ALA A 114
THR A 132
 None
 1.34A 4qvqV-4nlmA:
undetectable
4qvqW-4nlmA:
undetectable		 4qvqV-4nlmA:
19.11
4qvqW-4nlmA:
20.16
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.
4oaw HEAVY CHAIN OF FAB
FRAGMENT OF
ANTI-HIV1 GP120 V2
MAB 2158

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B 205
GLY B 151
THR B 152
ALA B 153
THR B 148
 None
 0.82A 4qvqV-4oawB:
undetectable
4qvqW-4oawB:
undetectable		 4qvqV-4oawB:
21.84
4qvqW-4oawB:
23.32
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.
4ocw CAP256-VRC26.06
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.84A 4qvqV-4ocwH:
undetectable
4qvqW-4ocwH:
undetectable		 4qvqV-4ocwH:
22.34
4qvqW-4ocwH:
23.31
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.
4od1 CAP256-VRC26.03
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.89A 4qvqV-4od1H:
undetectable
4qvqW-4od1H:
undetectable		 4qvqV-4od1H:
22.18
4qvqW-4od1H:
25.38
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.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		5 THR A 128
SER A 143
GLN A 107
GLY A 126
ASP A 106
 None
 1.47A 4qvqV-4ruwA:
undetectable
4qvqW-4ruwA:
undetectable		 4qvqV-4ruwA:
20.40
4qvqW-4ruwA:
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 202
GLY H 148
THR H 149
ALA H 150
THR H 145
 None
 0.76A 4qvqV-4ye4H:
undetectable
4qvqW-4ye4H:
undetectable		 4qvqV-4ye4H:
24.22
4qvqW-4ye4H:
23.48
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		5 THR F 200
GLY F 196
THR F 195
ALA F 194
THR F 221
 None
 1.15A 4qvqV-5a5tF:
undetectable
4qvqW-5a5tF:
undetectable		 4qvqV-5a5tF:
20.33
4qvqW-5a5tF:
20.00
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF02775
(TPP_enzyme_C) 		5 CYH C 225
GLY C 145
THR C 144
ALA C 142
CYH C  52
 SF4  C 401 (-2.3A)
None
5SR  C 402 (-3.6A)
5SR  C 402 (-3.2A)
SF4  C 401 ( 2.3A)
 1.47A 4qvqV-5exeC:
undetectable
4qvqW-5exeC:
undetectable		 4qvqV-5exeC:
22.49
4qvqW-5exeC:
19.02
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.
5f89 CAP248-2B HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.83A 4qvqV-5f89H:
undetectable
4qvqW-5f89H:
undetectable		 4qvqV-5f89H:
18.60
4qvqW-5f89H:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
CYH H  31
LYS H  33
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.42A 4qvqV-5fg9H:
37.1
4qvqW-5fg9H:
26.0		 4qvqV-5fg9H:
98.31
4qvqW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
GLN H  22
CYH H  31
GLY H  47
THR H  48
ALA H  49
THR H  52
 None
 0.98A 4qvqV-5fg9H:
37.1
4qvqW-5fg9H:
26.0		 4qvqV-5fg9H:
98.31
4qvqW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
SER H  20
CYH H  31
LYS H  33
ALA H  49
THR H  52
 None
 0.69A 4qvqV-5fg9H:
37.1
4qvqW-5fg9H:
26.0		 4qvqV-5fg9H:
98.31
4qvqW-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
SER H  20
GLN H  22
CYH H  31
ALA H  49
THR H  52
 None
 1.08A 4qvqV-5fg9H:
37.1
4qvqW-5fg9H:
26.0		 4qvqV-5fg9H:
98.31
4qvqW-5fg9H:
23.62
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 GLN A 364
GLY A  56
THR A  55
ALA A  53
THR A  66
 None
 1.42A 4qvqV-5ftfA:
undetectable
4qvqW-5ftfA:
undetectable		 4qvqV-5ftfA:
20.24
4qvqW-5ftfA:
18.62
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.
5j7u MAJOR CAPSID PROTEIN

(Faustovirus) 		PF04451
(Capsid_NCLDV) 		5 THR A 350
GLY A 360
THR A 359
ALA A 358
ASP A 129
 None
 1.34A 4qvqV-5j7uA:
undetectable
4qvqW-5j7uA:
undetectable		 4qvqV-5j7uA:
17.77
4qvqW-5j7uA:
15.16
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 THR A 201
SER A 230
THR A 197
ALA A 226
THR A 144
 None
None
1VU  A 601 ( 4.8A)
None
None
 1.29A 4qvqV-5jfmA:
undetectable
4qvqW-5jfmA:
undetectable		 4qvqV-5jfmA:
20.84
4qvqW-5jfmA:
17.66
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.
5kan 16.G.07 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER G 203
GLY G 149
THR G 150
ALA G 151
THR G 146
 None
 1.19A 4qvqV-5kanG:
undetectable
4qvqW-5kanG:
undetectable		 4qvqV-5kanG:
21.15
4qvqW-5kanG:
23.58
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.
5n4g HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 190
GLY H 136
THR H 137
ALA H 138
THR H 133
 None
 0.80A 4qvqV-5n4gH:
undetectable
4qvqW-5n4gH:
undetectable		 4qvqV-5n4gH:
23.64
4qvqW-5n4gH:
20.00
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 5 GLN B 140
CYH A 291
THR A 242
ALA A 239
THR A 237
 None
None
MGD  A2002 (-3.0A)
None
MGD  A2002 (-4.4A)
 1.42A 4qvqV-5nqdB:
undetectable
4qvqW-5nqdB:
undetectable		 4qvqV-5nqdB:
16.59
4qvqW-5nqdB:
17.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR O   1
CYH O  31
LYS O  33
GLY O  47
THR O  48
ALA O  49
THR O  52
 None
 0.95A 4qvqV-5t0hO:
30.0
4qvqW-5t0hO:
26.3		 4qvqV-5t0hO:
56.17
4qvqW-5t0hO:
20.94
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.
5u3j DH511.1 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.82A 4qvqV-5u3jH:
undetectable
4qvqW-5u3jH:
undetectable		 4qvqV-5u3jH:
22.43
4qvqW-5u3jH:
22.13
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.
5u3n DH511.12P FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.83A 4qvqV-5u3nH:
undetectable
4qvqW-5u3nH:
undetectable		 4qvqV-5u3nH:
21.84
4qvqW-5u3nH:
22.13
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.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.87A 4qvqV-5uemH:
undetectable
4qvqW-5uemH:
undetectable		 4qvqV-5uemH:
15.81
4qvqW-5uemH:
21.13
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 GLY A  65
THR A 119
ALA A 120
THR A  86
ASP A 137
 None
 1.41A 4qvqV-5v2dA:
undetectable
4qvqW-5v2dA:
undetectable		 4qvqV-5v2dA:
14.29
4qvqW-5v2dA:
16.10
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.
5wcc VRC 315 02-1F07 FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.82A 4qvqV-5wccH:
undetectable
4qvqW-5wccH:
undetectable		 4qvqV-5wccH:
16.90
4qvqW-5wccH:
17.50
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.
5wna MAB 3D3 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 SER H 199
GLY H 145
THR H 146
ALA H 147
THR H 142
 None
 0.82A 4qvqV-5wnaH:
undetectable
4qvqW-5wnaH:
undetectable		 4qvqV-5wnaH:
18.50
4qvqW-5wnaH:
21.48
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.
5x5x FD CHAIN OF
ANTI-OSTEOCALCIN
ANTIBODY KTM219

(Mus musculus) 		no annotation 5 SER H 188
GLY H 134
THR H 135
ALA H 136
THR H 131
 None
 0.72A 4qvqV-5x5xH:
undetectable
4qvqW-5x5xH:
undetectable		 4qvqV-5x5xH:
15.09
4qvqW-5x5xH:
19.10
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 5 SER A 380
GLY A 442
THR A 441
ALA A 440
ASP A 436
 None
 1.48A 4qvqV-5xnzA:
undetectable
4qvqW-5xnzA:
0.5		 4qvqV-5xnzA:
15.09
4qvqW-5xnzA:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B   1
CYH B  31
LYS B  33
GLY B  47
ALA B  49
 None
 1.00A 4qvqV-6avoB:
21.8
4qvqW-6avoB:
20.4		 4qvqV-6avoB:
43.40
4qvqW-6avoB:
19.10