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Receptor
PDB id Resolution Class Description Source Keywords
2BII 1.7 Å EC: 1.7.1.2 CRYSTAL STRUCTURE OF NITRATE-REDUCING FRAGMENT OF ASSIMILATORY NITRATE REDUCTASE FROM PICHIA ANGUSTA PICHIA ANGUSTA FAD FLAVOPROTEIN HEME MOLYBDENUM NADP NITRATE ASSIMILATION OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF EUKARYOTIC NITRATE REDUCTION: CRYSTAL STRUCTURES OF THE NITRATE REDUCTASE ACTIVE SITE PLANT CELL V. 17 1167 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:701;
A:702;
A:703;
B:701;
B:702;
B:703;
B:704;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MTV A:1479;
B:1479;
Valid;
Valid;
none;
none;
submit data
518.251 C10 H9 Mo N5 O8 P S2 C(C1=...
NA A:603;
B:603;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
SO4 A:601;
A:602;
B:601;
B:602;
Invalid;
Invalid;
Invalid;
Invalid;
none;
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
2BII 1.7 Å EC: 1.7.1.2 CRYSTAL STRUCTURE OF NITRATE-REDUCING FRAGMENT OF ASSIMILATORY NITRATE REDUCTASE FROM PICHIA ANGUSTA PICHIA ANGUSTA FAD FLAVOPROTEIN HEME MOLYBDENUM NADP NITRATE ASSIMILATION OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF EUKARYOTIC NITRATE REDUCTION: CRYSTAL STRUCTURES OF THE NITRATE REDUCTASE ACTIVE SITE PLANT CELL V. 17 1167 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BII - MTV C10 H9 Mo N5 O8 P S2 C(C1=C2C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BII - MTV C10 H9 Mo N5 O8 P S2 C(C1=C2C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2BII - MTV C10 H9 Mo N5 O8 P S2 C(C1=C2C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MTV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BII; Ligand: MTV; Similar sites found with APoc: 76
This union binding pocket(no: 1) in the query (biounit: 2bii.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZEI CRS None
2 1T3D CYS 1.7301
3 2ZWS PLM 2.12264
4 5WXU FLC 2.12264
5 1OLT SAM 2.12264
6 2CYB TYR 2.16718
7 5TH5 MET 2.28137
8 5JBX MLI 2.29885
9 4BT5 23B 2.33463
10 1CT9 GLN 2.35849
11 4OKE AMP 2.38095
12 4TQK NAG 2.46305
13 1DEK DGP 2.48963
14 5KJW 53C 2.59434
15 3GD8 GOL 2.69058
16 2Q37 3AL 2.76243
17 4E28 9MZ 2.76923
18 1ONI BEZ 2.89855
19 2ATJ BHO 2.92208
20 1ODJ GMP 2.97872
21 4BTV RB3 3.19767
22 1VMK GUN 3.2491
23 5WHT SIA GAL GLC 3.62319
24 5WHT SIA GAL 3.62319
25 5WHT SIA 3.62319
26 5HQ8 SAH 3.77358
27 4RHS SIA SIA GAL 4.09836
28 4RDN 6MD 4.19162
29 3HKW IX6 4.30293
30 3SAO DBH 4.375
31 4NZ6 DGL 4.47284
32 4NZ6 DLY 4.47284
33 6I6X TLA 4.48113
34 3R6K FUC GAL GLA 4.59016
35 4JLS 3ZE 4.60526
36 4LEB THR THR THR THR THR THR THR 4.66667
37 3PA8 621 4.72441
38 4CVN ADP 5.83942
39 3BP1 GUN 5.86207
40 3K6V CIT 5.9322
41 2UYN 2KT 6.20155
42 2UYP PPI 6.20155
43 5CKS GAL 6.26781
44 1VKJ A3P 6.31579
45 2OFD NGA 6.33803
46 1PZM 5GP 6.63507
47 1ZOY UQ1 6.79612
48 3EYY MLI 6.89655
49 2HIM ASN 6.98324
50 3HRD NIO 7.54717
51 2CBO TH2 7.82609
52 3LE7 ADE 9.1954
53 1T36 ORN 9.19811
54 4C2C ALA ALA ALA 10.3774
55 5DCH 1YO 10.4167
56 5TVF CGQ 10.5882
57 4C2G ALA ALA ALA ALA 10.6132
58 1LNX URI 11.1111
59 1XX6 ADP 11.5183
60 3IWD M2T 13.2353
61 1I7M CG 13.4328
62 4GV8 DUP 14.2012
63 3QDV A2G 14.6853
64 3QDW A2G 14.6853
65 3QDT A2G GAL 14.6853
66 2WQ4 SFU 14.7436
67 6D59 FVJ 16.1677
68 1HBK COA 17.9775
69 3F9W SAH 18.6747
70 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 18.9815
71 1XDY MTE 25.8389
72 2XTS MTE 32.5641
73 4PW9 MSS 42.0054
74 5WA0 MSS 42.4658
75 1SOX MTE 43.3962
76 2A9D MTE 49.7312
Pocket No.: 2; Query (leader) PDB : 2BII; Ligand: MTV; 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: 2bii.bio2) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BII; Ligand: MTV; Similar sites found with APoc: 7
This union binding pocket(no: 3) in the query (biounit: 2bii.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1Q11 TYE 1.6129
2 2CYC TYR 2.66667
3 3W6X HZP 3.05677
4 5MB4 NAG 3.2419
5 1VKF CIT 4.78723
6 1Y2W NAG 5.6338
7 1PVC ILE SER GLU VAL 5.88235
Pocket No.: 4; Query (leader) PDB : 2BII; Ligand: MTV; 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: 2bii.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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