Receptor
PDB id Resolution Class Description Source Keywords
1SJA 2.3 Å EC: 4.-.-.- X-RAY STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE COMPLEXED WITH N-ACETYLMETHIONINE AMYCOLATOPSIS SP. RACEMASE LYASE ISOMERASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL STUDIES OF THE PROMISCUOUS O-SUCCINYLBENZOATE SYNTHASE FROM AMYCOLATOPSIS BIOCHEMISTRY V. 43 5716 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AME A:600;
B:700;
C:800;
D:900;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
191.248 C7 H13 N O3 S CC(=O...
MG A:601;
B:701;
C:801;
D:901;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SJD 1.87 Å EC: 4.-.-.- X-RAY STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE COMPLEXED WITH N-SUCCINYL PHENYLGLYCINE AMYCOLATOPSIS SP. RACEMASE LYASE ISOMERASE
Ref.: EVOLUTION OF ENZYMATIC ACTIVITY IN THE ENOLASE SUPERFAMILY: STRUCTURAL STUDIES OF THE PROMISCUOUS O-SUCCINYLBENZOATE SYNTHASE FROM AMYCOLATOPSIS BIOCHEMISTRY V. 43 5716 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 38 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1SJD - NPG C12 H13 N O5 c1ccc(cc1)....
2 1SJB - OSB C11 H10 O5 c1ccc(c(c1....
3 1SJC - SMG C9 H15 N O5 S CSCC[C@H](....
4 1SJA - AME C7 H13 N O3 S CC(=O)N[C@....
5 2GGH - NLQ C7 H12 N2 O4 CC(=O)N[C@....
6 1XPY - NLQ C7 H12 N2 O4 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AME; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 AME 1 1
2 CDT 0.666667 0.775
3 QRG 0.636364 0.829268
4 SMG 0.55814 0.842105
5 AN0 0.555556 0.8
6 NLG 0.540541 0.722222
7 FME 0.538462 0.911765
8 NLQ 0.512821 0.710526
9 AOR 0.5 0.692308
10 SAC 0.485714 0.641026
11 SC2 0.472222 0.722222
12 EPM 0.470588 0.85
13 OLN 0.444444 0.636364
14 AAG 0.425532 0.622222
15 M8F 0.413793 0.727273
16 MED 0.410256 0.771429
17 MET 0.410256 0.771429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found: 199
This union binding pocket(no: 6) in the query (biounit: 1sjd.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QA1 FAD 0.001671 0.40574 1.3587
2 3PFG TLO 0.002424 0.40604 1.52091
3 3PFG SAM 0.002424 0.40604 1.52091
4 4HA6 FAD 0.0003993 0.43541 1.63043
5 1I2B NAD 0.004206 0.40947 1.63043
6 1I2B UPG 0.004206 0.40947 1.63043
7 1I2B USQ 0.004206 0.40947 1.63043
8 1D6H COA 0.002449 0.40891 1.63043
9 1SB8 UD2 0.00571 0.40331 1.70455
10 2A0W DIH 0.001167 0.4089 1.7301
11 2YVF NAD 0.0005516 0.4451 1.90217
12 1QF5 RPL 0.0007122 0.43095 1.90217
13 1QF5 GDP 0.0007122 0.43095 1.90217
14 2YVF FAD 0.001838 0.42585 1.90217
15 2AQJ FAD 0.002378 0.42117 1.90217
16 2AQJ TRP 0.005882 0.40658 1.90217
17 4LCQ URQ 0.000976 0.40511 1.90217
18 1UDB NAD 0.004277 0.40686 2.07101
19 1UDB UFG 0.004277 0.40686 2.07101
20 3EAU NDP 0.008647 0.41101 2.14067
21 3EAU PDN 0.008647 0.41101 2.14067
22 4LXH C1E 0.0001846 0.40185 2.16606
23 1P1M MET 0.0001663 0.41531 2.17391
24 1E8G FCR 0.01343 0.40885 2.17391
25 1GR0 NAD 0.002499 0.42843 2.17984
26 2P2V CSF 0.004385 0.40567 2.43056
27 4C12 ADP 0.001299 0.42558 2.44565
28 1TIW FAD 0.0008002 0.41977 2.44565
29 1TIW TFB 0.0008002 0.41977 2.44565
30 1Q0H FOM 0.001987 0.41389 2.44565
31 2NPX NAD 0.007109 0.40368 2.44565
32 1Q0H NDP 0.00465 0.40311 2.44565
33 1IYE PGU 0.0003115 0.42379 2.589
34 1DR1 NAP 0.000508 0.42506 2.6455
35 1DR1 HBI 0.000508 0.42506 2.6455
36 3GE7 AFQ 0.0002084 0.4323 2.71739
37 4G87 UD1 0.0006691 0.43041 2.71739
38 3FPZ AHZ 0.01519 0.402 2.76074
39 1R37 NAD 0.0006296 0.4182 2.88184
40 1UXG FUM 0.00171 0.4089 2.91262
41 1UXG NAD 0.00171 0.4089 2.91262
42 3FC2 IBI 0.0006145 0.41294 2.98507
43 3K37 BCZ 0.002452 0.43111 2.98913
44 3F3E LEU 0.0007595 0.41933 2.98913
45 2HGS ADP 0.0001439 0.41785 2.98913
46 4O8A FAD 0.0006917 0.41277 2.98913
47 2YB9 HA0 0.0008261 0.40888 2.98913
48 2VBQ BSJ 0.001762 0.40376 3.0303
49 2AE2 PTO 0.0009789 0.41913 3.07692
50 2AE2 NAP 0.0009789 0.41913 3.07692
51 4EKV BTN 0.001058 0.40962 3.14465
52 2NLI LAC 0.001023 0.4274 3.26087
53 2NLI FMN 0.001023 0.4274 3.26087
54 1KY8 NAP 0.006191 0.42147 3.26087
55 3OND NAD 0.001791 0.41728 3.26087
56 3OND ADN 0.001791 0.41728 3.26087
57 4L1F FAD 0.001621 0.40493 3.26087
58 2BNF UTP 0.0008792 0.41842 3.3195
59 1IG3 VIB 0.0009856 0.40645 3.42205
60 1GEE NAD 0.001044 0.40708 3.44828
61 4O1M NAD 0.001039 0.40573 3.49206
62 1PEA ACM 0.007413 0.43873 3.53261
63 2J07 HDF 0.002081 0.41594 3.53261
64 2J07 FAD 0.002081 0.41594 3.53261
65 3SJU NDP 0.001734 0.40008 3.58423
66 1T8U UAP SGN IDS SGN 0.001391 0.41185 3.67647
67 4CMF PXG 0.004965 0.40381 3.72671
68 2BNE U5P 0.001824 0.40265 3.73444
69 3FC4 EDO 0.0005487 0.43942 3.80435
70 1HV9 UD1 0.0005254 0.43245 3.80435
71 4RJK TPP 0.0002553 0.42178 3.80435
72 4RJK TDL 0.0003475 0.42077 3.80435
73 3HAZ FAD 0.0007747 0.41121 3.80435
74 2ZX7 ZX7 0.0008967 0.40848 3.80435
75 3N5O GSH 0.0001746 0.40537 3.82979
76 3KO8 NAD 0.001245 0.40603 3.84615
77 2YGN PCF 0.001259 0.40164 3.84615
78 2Q2V NAD 0.001797 0.40222 3.92157
79 2F01 BTN 0.005584 0.41145 3.93701
80 2RH4 EMO 0.00132 0.41991 3.97112
81 3D2M COA 0.005783 0.42538 4.07609
82 2IXB NAD 0.001671 0.40059 4.07609
83 1FIQ SAL 0.0009956 0.40913 4.10959
84 3V91 UPG 0.004814 0.4026 4.12371
85 1R6D DAU 0.003992 0.4087 4.1543
86 1SG4 CO8 0.0007455 0.40564 4.23077
87 2WA4 069 0.01367 0.40956 4.29799
88 1V7R CIT 0.03938 0.41528 4.30108
89 2F2U M77 0.001939 0.42909 4.34783
90 1ZK7 FAD 0.002251 0.41205 4.34783
91 2C7G FAD 0.00433 0.40979 4.34783
92 2C7G ODP 0.004118 0.40979 4.34783
93 1TV5 FMN 0.002362 0.40745 4.34783
94 2QQ0 TMP 0.001198 0.40519 4.34783
95 2QQ0 ADP 0.001198 0.40519 4.34783
96 1H6C NDP 0.002544 0.40211 4.34783
97 1UJ2 ADP 0.0007867 0.40325 4.36508
98 1RYI FAD 0.002163 0.41073 4.45026
99 2YBQ UP2 0.002392 0.40184 4.45205
100 1IM8 SAI 0.0002272 0.40744 4.5082
101 1WUR 8DG 0.0004303 0.40256 4.54545
102 1V35 NAI 0.0002937 0.43767 4.55927
103 1SOW NAD 0.0006827 0.41437 4.57317
104 3CIP ATP 0.002918 0.40538 4.61957
105 4GYW UDP 0.001363 0.40476 4.61957
106 4NE2 SH2 0.002145 0.40221 4.61957
107 1OAA OAA 0.002933 0.40627 4.6332
108 1TDF NAP 0.0003459 0.45824 4.74684
109 1TDF FAD 0.004492 0.40276 4.74684
110 4IAE 1DX 0.004933 0.40349 4.7619
111 1UNB PN1 0.002323 0.41205 4.82315
112 1UNB AKG 0.003829 0.4019 4.82315
113 1Q3Q ANP 0.001661 0.42513 4.8913
114 2RDT 2RD 0.01057 0.40213 4.8913
115 2GJN FMN 0.0008564 0.40212 4.8913
116 3D3W NAP 0.0007225 0.41217 4.91803
117 1T26 NAI 0.01137 0.41248 4.96894
118 1T26 GBD 0.01137 0.41248 4.96894
119 2PT9 2MH 0.0001468 0.43863 4.98442
120 2PT9 S4M 0.0002148 0.42063 4.98442
121 4Q0P 0MK 0.003891 0.43 5
122 2GJ3 FAD 0.0007579 0.41079 5
123 4NAT 2W5 0.002451 0.40264 5
124 3L0E G58 0.0007141 0.40622 5.13834
125 1KOL NAD 0.0013 0.41049 5.16304
126 1G8S MET 0.00035 0.4864 5.21739
127 3E8N VRA 0.001075 0.41992 5.27859
128 3E8N ATP 0.001075 0.41992 5.27859
129 3RO7 TDR 0.01844 0.40499 5.28302
130 1VDC FAD 0.005099 0.40174 5.40541
131 1RM0 NAI 0.0009724 0.42441 5.43478
132 1RM0 D6P 0.001206 0.42406 5.43478
133 4OYA 1VE 0.01092 0.41491 5.43478
134 1RHC F42 ACN 0.001277 0.4029 5.45455
135 2I7C AAT 0.0001092 0.44132 5.65371
136 2DTX BMA 0.001463 0.41224 5.68182
137 3BW2 FMN 0.0003423 0.42098 5.70652
138 3S9K CIT 0.003955 0.48247 5.9322
139 2GYI HYA 0.002704 0.42203 5.97826
140 2E2R 2OH 0.001693 0.40432 6.14754
141 4R33 SAH 0.0003749 0.42548 6.25
142 4R33 TRP 0.0003749 0.42548 6.25
143 1JYQ MAZ PTR PTM ASN 0.001265 0.42425 6.25
144 4FWE FAD 0.001046 0.42134 6.25
145 2RGH FAD 0.001736 0.41086 6.25
146 1QJC PNS 0.0051 0.4054 6.32911
147 2YGO PCF 0.001022 0.40448 6.38298
148 4AT0 FAD 0.00314 0.40894 6.47059
149 4DEM YS4 0.000484 0.45817 6.52174
150 2V6O FAD 0.005175 0.41694 6.52174
151 3K7M FAD 0.004734 0.40691 6.52174
152 1NNU NAD 0.00571 0.41872 6.55022
153 1NNU TCT 0.00709 0.41525 6.55022
154 1YB5 NAP 0.001053 0.41099 6.55271
155 2AHR NAP 0.00108 0.40662 6.56371
156 3LZW NAP 0.003056 0.41659 6.62651
157 1KBI PYR 0.0004842 0.41145 6.79348
158 1KBI FMN 0.0004842 0.41145 6.79348
159 2FH5 GTP 0.003935 0.40198 7.02703
160 4KCF AKM 0.0005146 0.40421 7.04846
161 3B1J NAD 0.0005003 0.41576 7.07965
162 3ZV6 4HB 0.002696 0.40653 7.11744
163 3ZV6 NAD 0.002628 0.4059 7.11744
164 3T31 FAD 0.001107 0.42968 7.6087
165 3T31 DCQ 0.00326 0.41486 7.6087
166 1O68 KIV 0.01258 0.42406 7.63636
167 3DJL FAD 0.006104 0.41657 7.88043
168 4JTA NAP 0.00674 0.41159 7.88043
169 4IVG ANP 0.004526 0.40519 8.15217
170 2NXW TPP 0.001828 0.40069 8.15217
171 4KWI 1TJ 0.0005179 0.42945 8.36502
172 4KWI NAP 0.001855 0.40991 8.36502
173 2G86 UMP 0.005554 0.40131 9.17722
174 3PNL ADP 0.0004642 0.4031 9.2437
175 1H82 GZZ 0.0007367 0.43988 9.78261
176 1H82 FAD 0.0006425 0.43958 9.78261
177 2XK9 XK9 0.001798 0.40348 9.93789
178 4CKU P2F 0.0001278 0.45641 10.0304
179 1M5B BN1 0.002844 0.41694 10.2662
180 1BGQ RDC 0.0002179 0.42221 10.6667
181 1EXB NDP 0.007708 0.40948 10.6796
182 2GN4 UD1 0.005777 0.44404 11.0465
183 1CX9 NHP 0.008146 0.41197 11.413
184 4KQI NIO 0.001341 0.40362 12.9213
185 4KQI RBZ 0.001341 0.40362 12.9213
186 1DLJ NAI 0.0006658 0.43382 13.3152
187 1DLJ UGA 0.0006658 0.43382 13.3152
188 3WSJ MK1 0.0002048 0.44942 14.6552
189 1NUS APC 0.003441 0.40098 14.6825
190 2PR5 FMN 0.00008627 0.45389 18.9394
191 1EC9 XYH 0.00004461 0.51123 21.7391
192 2DW7 SRT 0.0002033 0.40216 24.7283
193 1R6W 164 0.0001772 0.42521 27.6398
194 3DER ALA LYS 0.00000000003389 0.60648 32.1739
195 3UXL CFI 0.0002422 0.47424 40.4891
196 3DG6 MUC 0.000002063 0.48125 41.6894
197 2P8B NSK 0.00000001173 0.6394 44.837
198 3DGB MUC 0.0000002352 0.50443 45.1087
199 1TKK ALA GLU 0.00000004434 0.55535 47.2678
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