Receptor
PDB id Resolution Class Description Source Keywords
4YWV 2.4 Å EC: 1.-.-.- STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION MECHANISM O DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROGENASE FROM STREPTOCP YOGENES STREPTOCOCCUS PYOGENES MGAS1882 SUCCINIC SEMIALDEHYDE DEHYDROGENASE STREPTOCOCCUS PYOGENESSUBSTRATE INHIBITION ESS-COMPLEX STRUCTURE OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION ME OF NADP(+)-DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROG FROM STREPTOCOCCUS PYOGENES. BIOCHEM.BIOPHYS.RES.COMMUN. V. 461 487 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SSN B:501;
A:502;
B:502;
A:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 0.1 mM
102.089 C4 H6 O3 C(CC(...
SO4 B:503;
A:503;
A:504;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YWV 2.4 Å EC: 1.-.-.- STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION MECHANISM O DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROGENASE FROM STREPTOCP YOGENES STREPTOCOCCUS PYOGENES MGAS1882 SUCCINIC SEMIALDEHYDE DEHYDROGENASE STREPTOCOCCUS PYOGENESSUBSTRATE INHIBITION ESS-COMPLEX STRUCTURE OXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHT INTO THE SUBSTRATE INHIBITION ME OF NADP(+)-DEPENDENT SUCCINIC SEMIALDEHYDE DEHYDROG FROM STREPTOCOCCUS PYOGENES. BIOCHEM.BIOPHYS.RES.COMMUN. V. 461 487 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4YWV Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
2 4OHT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4YWU Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4YWV Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
2 4OHT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4YWU Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4ITB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 3VZ3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4YWV Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
4 4OHT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4YWU Ki = 0.1 mM SSN C4 H6 O3 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 SSN 1 1
2 0L1 0.409091 0.722222
3 GUA 0.409091 0.764706
4 BUA 0.409091 0.6875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YWV; Ligand: SSN; 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: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4YWV; Ligand: SSN; 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: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4YWV; Ligand: SSN; 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: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found: 77
This union binding pocket(no: 4) in the query (biounit: 4ywv.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EU1 GLC 0.005937 0.43839 1.29032
2 3G5S GSH 0.03471 0.40445 1.58014
3 1P7T PYR 0.01794 0.41697 1.72043
4 4OKD GLC GLC GLC 0.01218 0.4309 2.15054
5 1OFL NGK GCD 0.02519 0.41301 2.36559
6 4WES HCA 0.02436 0.40596 2.40175
7 3F5A SIA GAL NAG 0.001521 0.47926 2.43902
8 3WWX DIA 0.03516 0.41175 2.5788
9 3ML5 AZM 0.04672 0.4023 2.60223
10 5FYR INS 0.03422 0.40422 2.68456
11 1T36 U 0.00397 0.42824 2.87958
12 4DSU BZI 0.009159 0.44289 3.1746
13 4NOS ITU 0.02999 0.40779 3.27869
14 2IYF UDP 0.042 0.40006 3.61446
15 2VT3 ATP 0.01618 0.41388 3.72093
16 3TTM PUT 0.03166 0.40844 3.75723
17 2B6N ALA PRO THR 0.0283 0.40764 3.95683
18 1NW4 IMH 0.02436 0.40157 3.98551
19 3BRE C2E 0.009249 0.44417 4.18994
20 4BHL ARG 0.02523 0.42247 4.49438
21 5KOH HCA 0.01879 0.42042 4.51613
22 1FLJ GSH 0.009311 0.43806 4.61538
23 5KJW 53C 0.003179 0.4682 4.91803
24 4Q4X SIA 0.002531 0.44126 4.91803
25 1EZ0 NAP 0.00000087 0.53259 5.37634
26 4WCX MET 0.001328 0.48393 5.37634
27 3NZ1 3NY 0.009683 0.43753 5.74713
28 4H0I MMA 0.03718 0.40323 5.9761
29 1KAE NAD 0.01375 0.4174 5.99078
30 2ZWI C5P 0.03282 0.40201 6.16622
31 5JE8 NAD 0.004383 0.40754 6.29139
32 2Y6P CTP 0.0173 0.40883 7.26496
33 3I5C C2E 0.01847 0.42595 7.28155
34 4XG0 CIT 0.04409 0.40813 7.74194
35 4R84 CSF 0.002193 0.44799 7.95699
36 1KYQ NAD 0.01594 0.40385 8.39416
37 4XFR CIT 0.01264 0.43593 8.43091
38 1UPR 4IP 0.01948 0.41286 9.7561
39 2G30 ALA ALA PHE 0.005303 0.42047 10.4651
40 1H0A I3P 0.02401 0.41851 10.7595
41 1I7M CG 0.001743 0.47218 11.9403
42 3DZ6 M8E 0.002731 0.43561 11.9403
43 5FUI APY 0.001318 0.4664 12.1212
44 1QH8 HCA 0.01453 0.42328 12.9032
45 5TVF CGQ 0.006426 0.43381 12.9412
46 1RL4 BRR 0.03731 0.40279 13.8298
47 2XG5 EC2 0.001817 0.48189 15.5963
48 2XG5 EC5 0.001817 0.48189 15.5963
49 4RJD TFP 0.03109 0.40633 16.6667
50 2QQC AG2 0.04452 0.40252 18.8679
51 1N13 AG2 0.04893 0.40032 19.2308
52 1ECM TSA 0.02173 0.41514 20.1835
53 3EJ0 11X 0.02506 0.40464 20.4082
54 2WZ5 MET 0.001491 0.48682 24.183
55 2Y5D NAP 0.0000001136 0.58155 32.2581
56 5KF6 NAD 0.000000004767 0.60745 35.4839
57 4NS3 NAD 0.000001144 0.5888 36.7742
58 4LH0 GLV 0.000000002487 0.58386 39.7849
59 5UCD NAP 0.0000003853 0.56619 41.1379
60 5U0L 8YP 0.01209 0.42908 41.7204
61 3RHJ NAP 0.000000004099 0.56841 42.1505
62 3SZB I1E 0.0001685 0.54131 42.1505
63 1T90 NAD 0.00000001478 0.59842 42.3656
64 4ZUL UN1 0.00000002493 0.59557 42.7957
65 3IWJ NAD 0.0000001512 0.63649 43.0108
66 4I8P NAD 0.000000001456 0.61602 43.4409
67 1O9J NAD 0.00000004395 0.58625 43.4409
68 2WOX NDP 0.0000002185 0.56083 43.4409
69 2WME NAP 0.0001319 0.49531 43.4409
70 1WNB BTL 0.001675 0.51464 44.0404
71 4PZ2 NAD 0.000000001321 0.63743 44.086
72 4I3V NAD 0.00000002219 0.59185 44.2623
73 2QE0 NAP 0.00000002085 0.52652 44.5161
74 3IWK NAD 0.0000002826 0.60217 45.5914
75 5L13 6ZE 0.000000000287 0.5294 46.6667
76 3JZ4 NAP 0.0000001062 0.58845 46.8817
77 4A0M NAD 0.000000004536 0.6175 47.0968
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