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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NPG A:1200;
B:1163;
B:1300;
C:1164;
C:1400;
D:1500;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
251.235 C12 H13 N O5 c1ccc...
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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 46 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 44 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 1 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: NPG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NPG 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 82
This union binding pocket(no: 1) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 5KTI TRE 6X6 None
3 2BOS GLA GAL None
4 3NV3 GAL NAG MAN None
5 5XSS XYP 1.58228
6 3FYP PEP 1.78571
7 5BOE PEP 2.17391
8 5DGR GCS 2.17391
9 3H22 B53 2.3569
10 1XIM XYL 2.44565
11 4D52 GXL 2.53968
12 1EJH M7G 2.63158
13 4M1U A2G MBG 2.6936
14 4KCT PYR 2.71739
15 2G3F IZC 2.71739
16 2JFZ 003 2.7451
17 2JFZ DGL 2.7451
18 3K4Z CBI 2.76817
19 2EG7 OTD 2.88184
20 3QTP 2PG 2.98913
21 2Q09 DI6 2.98913
22 4RM0 FUC NAG GAL 3.16456
23 2CI5 HCS 3.16901
24 3B99 U51 3.26087
25 1US2 XYP XYP XYP XYP 3.53261
26 5XSJ XYP 4.05405
27 3WBZ ATP 4.05904
28 1IGW PYR 4.07609
29 1Q6O LG6 4.16667
30 1EYE PMM 4.28571
31 2OVD DAO 4.3956
32 1I82 BGC BGC 4.7619
33 3U6W KIV 5.16304
34 4YRD 3IT 5.29248
35 4NZF ARB 5.43478
36 5TKL G3H 5.50964
37 4B1M FRU FRU 6.48649
38 5CX8 RP3 6.79348
39 2XVL PXN 6.79348
40 1A99 PUT 6.97674
41 4D1J DGJ 7.33696
42 4IMO PWZ 7.38636
43 1KKR 2AS 7.6087
44 1O68 KIV 7.63636
45 2VEG PMM 7.64331
46 4GGZ BTN 7.82609
47 3CXO 3LR 8.15217
48 3CXO 1N5 8.15217
49 3OYW TDG 8.95522
50 4URN NOV 9.33333
51 5NBW 8SK 9.45946
52 4Z1D PEP 9.78261
53 3GLC R5P 9.83051
54 4HZ0 1AV 9.85915
55 5DYO FLU 9.90566
56 1S14 NOV 10.8247
57 6I6X H6B 11.6848
58 3DZ6 PUT 11.9403
59 1I7M PUT 11.9403
60 2AL2 2PG 13.0435
61 2PTZ PAH 13.0435
62 1EBG PAH 13.0435
63 2AL2 PEP 13.0435
64 4IP7 FLC 13.587
65 5BXV MGP 13.6364
66 5T46 MGP 13.6364
67 4ZCW 4NG 14.1304
68 4A3R CIT 14.4022
69 4JX1 CAM 15.0442
70 4JX1 CAH 15.0442
71 1A78 TDG 18.6567
72 1EC9 XYH 21.7391
73 2DW7 SRT 24.7283
74 2QJN KDG 25.8152
75 1R6W 164 27.6398
76 3DER ALA LYS 32.1739
77 3UXL CFI 40.4891
78 3DG6 MUC 41.6894
79 3HPF GAE 42.663
80 2P8B NSK 44.837
81 3DGB MUC 45.1087
82 1TKK ALA GLU 47.2678
Pocket No.: 2; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 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 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 231
This union binding pocket(no: 3) in the query (biounit: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4UA3 COA None
2 2HFN FMN None
3 2F5Z FAD 1.08696
4 5LOF 70R 1.3587
5 3KMZ EQO 1.50376
6 5J6A P46 1.63043
7 5L2M 6ZY 1.63043
8 2UUU PL3 1.63043
9 2UUU FAD 1.63043
10 5FOI MY8 1.63043
11 3LN0 52B 1.63043
12 1U8V FAD 1.63043
13 1FCH TYR GLN SER LYS LEU 1.63043
14 6BMS PLM 1.75953
15 1LN1 DLP 1.86916
16 4MNS 2AX 1.88679
17 4WZ8 3W7 1.90217
18 1GET FAD 1.90217
19 5N81 8Q2 1.90217
20 5GJO PLP 1.90217
21 4PQG NAG 1.90217
22 3E7O 35F 1.94444
23 2QE4 JJ3 2.01613
24 2C1X UDP 2.17391
25 4H1V GNP 2.17391
26 1F06 NDP 2.1875
27 1F06 2NP 2.1875
28 5TC4 NAD 2.21519
29 1M48 FRG 2.25564
30 3E8T UQ8 2.27273
31 5NWI TYR PHE SER SEP ASN 2.29008
32 3WDM ADN 2.29885
33 5AZC PGT 2.33333
34 2X24 X24 2.44565
35 1BOB ACO 2.5
36 4D4U FUC GAL NAG 2.53968
37 4AR8 IP8 GLY PRO ALA 2.71739
38 1YOK P6L 2.73438
39 5XQL C2E 2.74914
40 2Y7P SAL 2.75229
41 3WYJ H78 2.7668
42 4Q4K FMN 2.80112
43 5B4B LP5 2.82258
44 1NHZ 486 2.85714
45 5G5W R8C 2.85714
46 5N5U 7N8 2.86624
47 2B4D COA 2.92398
48 3QJ4 FAD 2.92398
49 4AIG FLX 2.98507
50 3ETG NDP 2.98913
51 3ETG GTP 2.98913
52 3ETG GLU 2.98913
53 2IBY COA 2.98913
54 4R0M FA5 2.98913
55 2BVN ENX 2.98913
56 5XWV 8H6 3.02419
57 2VBQ BSJ 3.0303
58 5IF4 6AK 3.14465
59 2Z7I 742 3.23529
60 3QKD HI0 3.31492
61 4IS0 1R4 3.3195
62 1NF8 BOG 3.38164
63 4YCA NDP 3.40136
64 5XJ8 NKO 3.48259
65 5XJ7 87O 3.48259
66 4R6W PC 3.48837
67 6GL8 F3Q 3.48837
68 2E3N 6CM 3.52941
69 4IOK XPO 3.53261
70 4IOK ADP 3.53261
71 4UBT COA 3.53261
72 4QVX 3CQ 3.59281
73 4RC8 STE 3.6036
74 3WBF NAP 3.60656
75 1HKU NAD 3.63128
76 4TSK NDP 3.71429
77 3T6E MQ9 3.71517
78 1POC GEL 3.73134
79 2ZFZ ARG 3.79747
80 3ZLR X0B 3.79747
81 2O1V ADP 3.80435
82 5TUZ SAM 3.83142
83 5TUZ 7L6 3.83142
84 1KPH SAH 3.83275
85 1S7N COA 3.84615
86 4XT8 TMQ 3.87597
87 4XT8 NAP 3.87597
88 3BQD DAY 3.92157
89 1ATL 0QI 3.9604
90 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 4
91 3BPX SAL 4.05405
92 2I6A 5I5 4.05797
93 1YRE COA 4.06091
94 1OZH HE3 4.07609
95 1QV1 CZH 4.10256
96 6BQK Z1E 4.10959
97 3WR7 COA 4.11765
98 3V49 PK0 4.13534
99 1KQF MGD 4.14747
100 3R96 AMP 4.25532
101 3R96 ACO 4.25532
102 3TGE TGE 4.29448
103 1TV5 N8E 4.34783
104 5GK9 ACO 4.34783
105 1TIQ COA 4.44444
106 4QC6 30N 4.46927
107 4RPO T6C 4.4843
108 1NVT NAP 4.52962
109 5CX6 CDP 4.61957
110 6B21 C9V 4.61957
111 5BZ4 COA 4.61957
112 3QMK SGN IDS SGN IDS 4.6729
113 5Z1N PEF 4.7619
114 4UNR QZE 4.7619
115 4BQO COA 4.80769
116 1TPY SAH 4.87805
117 5LJW ANP 4.89914
118 5ZBK AMP 4.92611
119 3VPD ANP 4.98221
120 2WOR 2AN 5
121 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 5
122 5WL1 CUY 5.05051
123 5U98 1KX 5.05051
124 6BA2 7KM 5.08475
125 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 5.10204
126 1OFD FMN 5.16304
127 1OFD AKG 5.16304
128 1BZL GCG 5.16304
129 3LAD FAD 5.16304
130 1YY5 FAD 5.16304
131 2RH1 CAU 5.16304
132 4JMU 1ML 5.35714
133 3P8N L4T 5.37634
134 2IHU TP9 5.41012
135 1KUK PCA LYS TRP 5.41872
136 2Q4W FAD 5.43478
137 4BA5 PXG 5.43478
138 5UC4 83S 5.45455
139 5OCA 9QZ 5.46218
140 1O94 ADP 5.70652
141 1XDY MTE 5.70652
142 3IHG FAD 5.70652
143 4YV5 SVR 5.7377
144 6BMM OLB 5.80205
145 1L1E SAH 5.92335
146 3JUQ AJD 5.94595
147 3JUQ AKD 5.94595
148 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 5.96026
149 5EXE 5SR 6.05096
150 5TCI 79V 6.15942
151 6EDV COA 6.18557
152 3L9R L9R 6.36042
153 2HJ3 FAD 6.4
154 4RHE FMN 6.69856
155 1ELW GLY PRO THR ILE GLU GLU VAL ASP 6.77966
156 1KBI FMN 6.79348
157 1KBI PYR 6.79348
158 6CB2 OLC 6.82594
159 3ET3 ET1 6.84932
160 6H21 UD1 6.95652
161 4B5P ACO 7
162 4H6U ACO 7
163 3EHG ATP 7.03125
164 3WIS FMN 7.03518
165 2Q4V ACO 7.05882
166 4DXD 9PC 7.06522
167 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 7.07071
168 2FK8 SAM 7.2327
169 5W19 9TD 7.33696
170 2VZZ SCA 7.33945
171 2P9H IPT 7.43494
172 3K9U ACO 7.54717
173 1WK8 VMS 7.73196
174 5EK3 5PK 7.88043
175 2IU8 PLM 7.88043
176 3MBG FAD 7.91367
177 5NTP 98E 7.98319
178 2J8C U10 8.07692
179 4IPE ANP 8.15217
180 3PF7 MLA 8.15217
181 5MYD DUP 8.21256
182 5XDT MB3 8.44156
183 1FK5 OLA 8.60215
184 3U5S FAD 8.73016
185 1UVC STE 8.79121
186 3B6C SDN 8.97436
187 5HGZ ACO 9.0535
188 3ANP DCC 9.31373
189 3ANP DAO 9.31373
190 5GWX SAM 9.50704
191 5GWX SAR 9.50704
192 2RHW C0E 9.51087
193 3NBK PNS 9.60452
194 5ZZ6 NAD 9.61539
195 3IP8 B85 9.67742
196 2C2A ADP 9.68992
197 2HKJ RDC 9.78261
198 1H9G COA MYR 9.87654
199 5K04 COA 10
200 6DIO NAD 10.3261
201 4I67 G G G RPC 10.3448
202 5FVJ ACO 10.8434
203 5HH0 COA 11
204 4M8X KGQ 11.1111
205 3O55 FAD 11.2
206 1OQC FAD 11.2
207 4OIV XX9 11.5044
208 4RI1 ACO 11.828
209 3RMK BML 12.0482
210 2PX6 DH9 12.3418
211 3E85 BSU 12.6582
212 6BR9 6OU 13.0919
213 6BR9 PGV 13.0919
214 2CNT COA 13.125
215 1RDT 570 14.0496
216 5CSD ACD 14.4654
217 5N8V KZZ 14.4928
218 4V2O CLQ 15.8537
219 4EU7 COA 16.5761
220 1N07 FMN 17.1779
221 1N07 ADP 17.1779
222 1F8Y 5MD 17.1975
223 6BR8 PGV 17.4603
224 1JF0 CZH 17.9487
225 6C28 WCA 19.8925
226 1IDA 0PO 21.2121
227 4XIZ LPP 21.7647
228 5ZCO PGV 29.4118
229 5Z84 PGV 29.4118
230 2DYR PGV 29.4118
231 4INB 1F6 34.9315
Pocket No.: 4; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 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 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 14
This union binding pocket(no: 5) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3AKI AH8 1.3587
2 4EUO ABU 1.875
3 3HPY MCT 1.94175
4 4J8B LEU LYS THR LYS LEU LEU 2.14067
5 3GJB AKG 2.19436
6 4CSD MFU 3.30882
7 4ZXA H8N 4.16667
8 5T9C G3P 4.85075
9 5JNW 6LJ 5.66038
10 5A5W GUO 7.50988
11 1AFS TES 8.35913
12 1CX9 NHP 11.413
13 3ZGJ RMN 13.587
14 2CFC KPC 14
Pocket No.: 6; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 16
This union binding pocket(no: 7) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 3HP9 CF1 1.63043
2 1O5Q PYR 1.96721
3 4H53 SLB 2.44565
4 5M60 BGC 2.71739
5 4UEC MGT 3.26087
6 1ITU CIL 3.53261
7 5DCH 1YO 4.16667
8 1M3U KPL 4.54545
9 1SR9 KIV 5.16304
10 6FOG OXL 5.80357
11 3O7U O7U 6.79348
12 2OVW CBI 6.79348
13 3GM5 CIT 7.54717
14 6I6R H62 11.6848
15 4RW3 IPD 11.9565
16 6FBZ MGP 14.8148
Pocket No.: 8; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1sjd.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 49
This union binding pocket(no: 9) in the query (biounit: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1EWF PC1 1.3587
2 4D7E FAD 1.63043
3 3AAQ ARU 1.69972
4 5AAV GW5 1.98413
5 5DRB 5FJ 2.06186
6 5A4W QCT 2.35849
7 4LY9 S6P 2.44565
8 4LY9 1YY 2.44565
9 4PGK Y69 2.71739
10 5I39 FAD 2.71739
11 4CDN FAD 2.71739
12 2D81 RB3 2.83019
13 5UNJ RJW 2.85714
14 1GNI OLA 2.98913
15 2PLK P3D 2.98913
16 5AE2 FAD 3.53261
17 5AE2 FYC 3.53261
18 1KPG SAH 3.83275
19 5LJ0 6XX 3.84615
20 4OKZ 3E9 4.10959
21 4WZA ADP 4.34783
22 4WZA ACP 4.34783
23 2OBD 2OB 4.34783
24 5XVR TRH 4.34783
25 5K53 STE 4.58015
26 5FJN FAD 4.8913
27 5FJN BE2 4.8913
28 2FR3 REA 5.10949
29 4XPL ACO 5.52147
30 2J9C ATP 5.88235
31 2WPF FAD 5.97826
32 2WPF WPF 5.97826
33 3KPX CZH 6.06061
34 1UBY DMA 6.53951
35 3K60 ADP 6.72646
36 4KOT CE3 6.79012
37 5W7U GY8 7.1066
38 2P4Y C03 7.22022
39 2FLI DX5 7.27273
40 1FEC FAD 7.33696
41 4EOX 0S5 7.38916
42 4IVG ANP 8.15217
43 5TPR NAD 8.15217
44 5WZU 7W3 8.94309
45 5ZZ6 ADP 9.61539
46 1CMC SAM 10.5769
47 1FM9 570 14.2857
48 3D36 ADP 28.2609
49 1SBZ FMN 30.9645
Pocket No.: 10; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1sjd.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: 35
This union binding pocket(no: 11) in the query (biounit: 1sjd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4H9T HL4 1.21212
2 1PNF NDG NAG 1.59236
3 4LH7 1X8 1.85759
4 2ZSC BTN 2.12766
5 6FXR AKG 2.17391
6 5L2R MLA 2.17391
7 5O0J GLC 2.17391
8 5IN3 G1P 2.44565
9 2Y4S BCD 2.71739
10 2W92 NGT 2.98913
11 3TKY N7I 3.26087
12 2EFX NFA 3.30579
13 3EUF BAU 3.65854
14 4NDN PPK 3.71517
15 2XQ0 BES 4.07609
16 2YFO GLA 4.07609
17 2YFO GAL 4.07609
18 3KDM TES 4.12844
19 1M5W DXP 4.52675
20 1JG0 DDT 4.54545
21 6D61 4AA 4.61538
22 4AVV GHE 4.90196
23 4AVV CD 4.90196
24 5HWV MBN 5.38462
25 5LA1 XYP 5.43478
26 6AYI C3G 5.52764
27 1J3R 6PG 6.84211
28 6B9T 2HE 7.88043
29 1W6O LAT 8.95522
30 3ANY 2A3 9.12547
31 5KOH HCA 9.23913
32 1OJJ GLC GAL 10.0543
33 1NT4 G1P 10.0543
34 1OJK GLC BGC 10.0543
35 4PTN GXV 10.4956
Pocket No.: 12; Query (leader) PDB : 1SJD; Ligand: NPG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1sjd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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