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Receptor
PDB id Resolution Class Description Source Keywords
1YNH 1.95 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYLARGININE DIHYDROLASE, ASTB, BOUND TO SUBSTRATE AND PRODUCT, AN ENZYME FROM THE A RGININE CATABOLIC PATHWAY OF ESCHERICHIA COLI ESCHERICHIA COLI SUCCINYLARGININE DIHYDROLASE
Ref.: CRYSTAL STRUCTURE OF N-SUCCINYLARGININE DIHYDROLASE ASTB, BOUND TO SUBSTRATE AND PRODUCT, AN ENZYME FROM THE ARGININE CATABOLIC PATHWAY OF ESCHERICHIA COLI. J.BIOL.CHEM. V. 280 15800 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K A:2001;
B:2002;
C:2003;
D:2004;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
SUO A:1001;
B:1002;
C:1003;
D:1004;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
232.234 C9 H16 N2 O5 C(C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YNH 1.95 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF N-SUCCINYLARGININE DIHYDROLASE, ASTB, BOUND TO SUBSTRATE AND PRODUCT, AN ENZYME FROM THE A RGININE CATABOLIC PATHWAY OF ESCHERICHIA COLI ESCHERICHIA COLI SUCCINYLARGININE DIHYDROLASE
Ref.: CRYSTAL STRUCTURE OF N-SUCCINYLARGININE DIHYDROLASE ASTB, BOUND TO SUBSTRATE AND PRODUCT, AN ENZYME FROM THE ARGININE CATABOLIC PATHWAY OF ESCHERICHIA COLI. J.BIOL.CHEM. V. 280 15800 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 1YNH - SUO C9 H16 N2 O5 C(C[C@@H](....
2 1YNI - SUG C10 H18 N4 O5 C(C[C@@H](....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1YNH - SUO C9 H16 N2 O5 C(C[C@@H](....
2 1YNI - SUG C10 H18 N4 O5 C(C[C@@H](....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 1YNH - SUO C9 H16 N2 O5 C(C[C@@H](....
2 1YNI - SUG C10 H18 N4 O5 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SUO; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 SUO 1 1
2 NSK 0.804878 0.970588
3 SUG 0.612245 0.825
4 SN0 0.604651 0.777778
5 SMG 0.553191 0.725
6 AOR 0.534884 0.857143
7 AQK 0.456522 0.857143
8 16E 0.423077 0.8
9 AQQ 0.416667 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YNH; Ligand: SUO; Similar sites found with APoc: 92
This union binding pocket(no: 1) in the query (biounit: 1ynh.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1J78 OLA 1.0917
2 2F5X ASP 1.28205
3 1Z6K OAA 1.70648
4 5WS9 ATP 1.74672
5 2Z9I GLY ALA THR VAL 1.85185
6 6AC9 ANP 1.89189
7 4M3P HCS 1.97044
8 2CH5 NAG 2.01729
9 3U6W KIV 2.10773
10 4I9B 1KA 2.18341
11 4QGE 35O 2.18341
12 4ZW9 GLC 2.40175
13 4ZW9 BGC 2.40175
14 3WMX THR 2.40175
15 4X6K 3XR 2.40175
16 1VMK GUN 2.52708
17 1SR9 KIV 2.62009
18 5OKG XYT 2.62009
19 2AWN ADP 2.62467
20 6FOG OXL 2.67857
21 5AK8 ALA ARG 2.73973
22 5YF1 SFG 2.76243
23 6HKE LMR 2.83843
24 5BSH PRO 2.88809
25 6B9R 2HE 2.88889
26 2OEM 1AE 2.90557
27 1DRJ RIP 2.95203
28 2ZZV LAC 3.04709
29 1SQI 869 3.05344
30 3ZOA ACR 3.05677
31 4RQL SNE 3.27511
32 5CKS GAL 3.4188
33 3I7S PYR 3.42466
34 2F7A BEZ 3.44828
35 1GVF PGH 3.4965
36 5YRJ BGC GLC 3.52113
37 5YRG BGC GLC 3.52113
38 3JDW ORN 3.5461
39 3G6M CFF 3.69458
40 2F67 12B 3.72671
41 5HWK BEZ 3.75
42 1M26 GAL A2G 3.7594
43 1QFT HSM 4
44 1KJ8 GAR 4.14847
45 5IFK HPA 4.16667
46 1IND EOT 4.18605
47 6B2W AG2 4.2042
48 4OUE IPT 4.36681
49 4LHD GLY 4.36681
50 5LKC FUC GLA A2G 4.54545
51 1EB9 HBA 4.58015
52 4GNI ATP 4.64548
53 5GVR LMR 4.70085
54 2OG2 MLI 4.73538
55 3IHB GLU 4.82456
56 4C01 QY9 4.96454
57 1TV5 ORO 4.96614
58 5G6U TRP 4.98084
59 1H70 CIR 5.09804
60 5N53 8NB 5.12821
61 2CI5 HCS 5.28169
62 3WBZ ATP 5.53506
63 2JAJ D20 5.53633
64 2CFC KPC 5.6
65 3B9Q MLI 5.62914
66 1WDA BAG 5.67686
67 1WEI ADE 5.77778
68 3EW2 BTN 5.92593
69 5X2N ALA 6.45161
70 1M3U KPL 6.81818
71 4YSX MLI 7.05128
72 2XI7 XI7 7.06522
73 2WZF UDP 7.20524
74 5ZI9 FLC 7.69231
75 3ZZQ TRP 7.69231
76 4WOH 4NP 7.83133
77 3N8K D1X 8.13953
78 2JK0 ASP 8.30769
79 6A56 LAT 8.53659
80 2A9G ARG 8.61244
81 4B5W PYR 8.98438
82 3HQ9 OXL 9.85507
83 1GXU 2HP 9.89011
84 1O5O U5P 10.4072
85 1XI9 PLP 10.5911
86 1IYB 5GP 13.4615
87 3DGY 2GP 16.4948
88 4UUU SAM 17.4194
89 1RGE 2GP 17.7083
90 2VOH CIT 23.0769
91 3LQV ADE 25.641
92 1OFS SUC 27.0833
Pocket No.: 2; Query (leader) PDB : 1YNH; Ligand: SUO; Similar sites found with APoc: 27
This union binding pocket(no: 2) in the query (biounit: 1ynh.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2NZ5 226 1.45278
2 2QLU ADE 1.59236
3 3ZDS M8O 1.84758
4 3WV6 GAL GLC 2.36486
5 3VSS FRU 2.40175
6 5CGM MAL 2.62009
7 4LAY I63 2.85714
8 4AVV GHE 3.43137
9 4AVV CD 3.43137
10 3T7V MD0 3.71429
11 1KAH HIS 4.14747
12 4B1L FRU 4.24242
13 3BF8 MLA 5.09804
14 2YFO GAL 5.67686
15 2YFO GLA 5.67686
16 3L6R MLI 5.78035
17 1BGV GLU 5.79065
18 1FDJ 13P 6.61157
19 1LTT GAL BGC 7.31707
20 2F9W PAU 7.74908
21 4URX FK1 8.64865
22 1UP7 G6P 8.95197
23 1JT2 FER 10.8209
24 5LV1 78T 11.7857
25 3ZZS TRP 13.8462
26 2MSB NAG BMA MAN MAN MAN MAN MAN 13.913
27 3FYP PEP 17.8571
Pocket No.: 3; Query (leader) PDB : 1YNH; Ligand: SUO; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 1ynh.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2CH5 NDG 2.01729
2 3F70 MLZ 2.19298
3 5AYE BMA BMA 2.38806
4 2WNF CG3 A2G GAL 2.68456
5 5GP0 GPP 2.68456
6 2W5T GP9 3.06604
7 1GPJ CIT 3.71287
8 6F97 FAD 3.93013
9 4S00 AKR 4.25056
10 5V7I GLY 4.58515
11 2EAE LBT 4.58515
12 3RK1 ATP 4.64135
13 4AMW 5DI 5.8952
14 2E4G TRP 6.11354
15 5H5O PCG 7.75194
16 4GGZ BTN 15.6522
Pocket No.: 4; Query (leader) PDB : 1YNH; Ligand: SUO; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 1ynh.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZZE GLC GLC GLC 1.26263
2 5NGL NOJ BGC 1.417
3 4P8K 38C 1.96507
4 4P8K FAD 1.96507
5 5K8P 6R8 2.35294
6 4FUS CBI 2.40175
7 3VSV XYP 2.62009
8 5GZK BGC 3.05677
9 4OOE FOM 3.21782
10 1LT3 GAL BGC 3.33333
11 2R2N KYN 4
12 2P4S DIH 4.28954
13 3EFS ATP 4.29185
14 2EAE FUL 4.58515
15 6CI9 F3V 4.6332
16 4WQQ MAN 9.21986
17 3KIF GDL 9.43396
18 2QRD ADP 10.219
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