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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 318 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 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)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 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: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 SSN 1 1
2 SIN 0.473684 0.866667
3 3OH 0.428571 0.631579
4 GUA 0.409091 0.764706
5 BUA 0.409091 0.6875
6 0L1 0.409091 0.722222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 109
This union binding pocket(no: 1) in the query (biounit: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 2Z49 AMG 1.15741
3 1EU1 GLC 1.29032
4 5UN9 NHT 1.50538
5 1P7T PYR 1.72043
6 4WOE ADP 1.72043
7 3QPB R1P 2.12766
8 1O8B ABF 2.28311
9 3T7V MD0 2.28571
10 6FA4 D1W 2.31214
11 1OFL NGK GCD 2.36559
12 4WES HCA 2.40175
13 5VEQ PMP 2.43309
14 3F5A SIA GAL NAG 2.43902
15 5N53 8NB 2.5641
16 5FYR INS 2.68456
17 1VAY AZA 2.78746
18 1T36 U 2.87958
19 1F9V ADP 2.88184
20 3KYF 5GP 5GP 3.0303
21 3GD8 GOL 3.13901
22 5OCG 9R5 3.1746
23 1HYH NAD 3.23625
24 4NOS ITU 3.27869
25 2IYF UDP 3.61446
26 2VT3 ATP 3.72093
27 2B6N ALA PRO THR 3.95683
28 1NW4 IMH 3.98551
29 1NU4 MLA 4.12371
30 3BRE C2E 4.18994
31 4BHL ARG 4.49438
32 5KOH HCA 4.51613
33 1FLJ GSH 4.61538
34 3WCS MAN NAG GAL 4.72441
35 2IZ1 ATR 4.73118
36 5KJW 53C 4.91803
37 2BHZ MAL 4.94624
38 4G7A AZM 5.24194
39 1EZ0 NAP 5.37634
40 4WCX MET 5.37634
41 3SUC ATP 5.5914
42 3NZ1 3NY 5.74713
43 1KAE NAD 5.99078
44 4RT1 C2E 6.25
45 5ZZ6 NAD 6.25
46 5JE8 NAD 6.29139
47 3R9C ECL 6.45933
48 2Y6P CTP 7.26496
49 4XG0 CIT 7.74194
50 5G48 1FL 7.75401
51 4R84 CSF 7.95699
52 4B4U NAP 8.25082
53 4XFR CIT 8.43091
54 1UPR 4IP 9.7561
55 3FXU TSU 10.1639
56 6GNO XDI 10.3704
57 2G30 ALA ALA PHE 10.4651
58 1H0A I3P 10.7595
59 1I7M CG 11.9403
60 3DZ6 M8E 11.9403
61 5FUI APY 12.1212
62 1QH8 HCA 12.9032
63 5TVF CGQ 12.9412
64 1JGS SAL 13.0435
65 3HVJ 705 13.5747
66 1RL4 BRR 13.8298
67 5K21 6QF 14.1844
68 2XG5 EC5 15.5963
69 2XG5 EC2 15.5963
70 2QQC AG2 18.8679
71 1N13 AG2 19.2308
72 1ECM TSA 20.1835
73 3EJ0 11X 20.4082
74 1H5S TMP 20.8191
75 6BR8 PGV 22.619
76 2Y5D NAP 32.2581
77 5KF6 NAD 35.4839
78 4NS3 NAD 36.7742
79 3HAZ NAD 37.8495
80 4LH0 GLV 39.7849
81 6FK3 PPI 40.2151
82 5UCD NAP 41.1379
83 2BJK NAD 41.9355
84 3RHJ NAP 42.1505
85 4OE4 NAD 42.1505
86 3SZB I1E 42.1505
87 1T90 NAD 42.3656
88 4ZUL UN1 42.7957
89 3IWJ NAD 43.0108
90 4I8P NAD 43.4409
91 1O9J NAD 43.4409
92 2WOX NDP 43.4409
93 2WME NAP 43.4409
94 1WNB BTL 44.0404
95 4PZ2 NAD 44.086
96 4I3V NAD 44.2623
97 5X5U NAD 44.3011
98 1KY8 NAP 44.3011
99 2QE0 NAP 44.5161
100 5L2M 6ZY 44.7312
101 2W8Q SIN 44.9462
102 3IWK NAD 45.5914
103 6B5G CQY 45.8064
104 6B5G NAD 45.8064
105 5L13 6ZE 46.6667
106 3JZ4 NAP 46.8817
107 4A0M NAD 47.0968
108 2IMP NAI 48.8172
109 2IMP LAC 48.8172
Pocket No.: 2; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 54
This union binding pocket(no: 2) in the query (biounit: 4ywv.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3VOZ 04A 1.5873
2 4ZTD ALA GLY ALA GLY ALA 1.97628
3 5L2R MLA 2.15054
4 3QSB 743 2.45902
5 1HXD BTN 2.49221
6 5CKS GAL 2.5641
7 1ELI PYC 2.57069
8 5F91 5WJ 2.7957
9 4L50 D8X 3.00752
10 1AIQ UMP 3.40909
11 1CZA G6P 3.44086
12 1LSH PLD 3.76176
13 3HQ9 OXL 3.76812
14 3BP1 GUN 3.7931
15 5NC1 NAG 3.79747
16 3WLV AZA 3.84615
17 6E1Q CFA 3.87097
18 1TZD ADP 4
19 6BYF CIT 4.11765
20 3RK0 AMP 4.21941
21 4BWL MN9 4.27632
22 4B9E FAH 4.31894
23 1WDI CIT 4.34783
24 3U7Q HCA 4.51613
25 4YJK URA 4.7619
26 5D4V SAH 4.85075
27 4XMF HSM 4.8913
28 5EXK MET 5.13595
29 2JDU MFU 5.21739
30 4X5S AZM 5.60345
31 2RDE C2E 5.9761
32 6GMR F4K 6.18557
33 1WDK NAD 6.23656
34 1WLJ U5P 6.34921
35 3KYG 5GP 5GP 6.60793
36 5A9A UTP 6.99588
37 1KYQ NAD 8.39416
38 1UYY BGC BGC 8.39695
39 1RJW ETF 8.84956
40 5NNS AKR 9.77778
41 2NU8 COA 9.79381
42 4COQ SAN 10.5263
43 6EK3 OUL 10.8597
44 3RF4 FUN 11.2069
45 5YJS SAL 11.5385
46 2Q37 3AL 11.6022
47 5HWV MBN 12.3077
48 2O66 FLC 14.0741
49 2WM1 13P 17.2619
50 5C83 4YN 17.2727
51 5G3L SIA 21.2121
52 4UEC MGT 24.4565
53 4RYV ZEA 25.1613
54 3IWD M2T 26.4706
Pocket No.: 3; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4YWV; Ligand: SSN; Similar sites found with APoc: 15
This union binding pocket(no: 4) in the query (biounit: 4ywv.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 3G5S GSH 1.58014
2 1PDZ PGA 1.84332
3 2OWZ CIT 2.10843
4 4OKD GLC GLC GLC 2.15054
5 3WWX DIA 2.5788
6 3TTM PUT 3.75723
7 6FBA D48 4.29799
8 2HXW FLC 5.48523
9 2ZWI C5P 6.16622
10 1A99 PUT 6.39535
11 3U40 ADN 6.61157
12 3A06 NDP 7.71277
13 1Z34 2FD 8.93617
14 4RJD TFP 16.6667
15 5C8W PCG 29.3706
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