Receptor
PDB id Resolution Class Description Source Keywords
2Y7I 1.9 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR HIGH ARGININE SPECIFICITY IN SALMONELLA TYPHIMURIUM PERIPLASMIC BINDING PROTEIN STM4351. SALMONELLA ENTERICA SUBSP. ENTERICA ARGININE-BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC AND MICROCALORIMETRIC ANALYSES REVEAL THE STRUCTURAL BASIS FOR HIGH ARGININE SPECIFICITY IN THE SALMONELLA ENTERICA SEROVAR TYPHIMURIUM PERIPLASMIC BINDING PROTEIN STM4351. PROTEINS V. 79 2352 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1249;
B:2248;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ARG A:1245;
B:1245;
Valid;
Valid;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
GOL A:1250;
B:2249;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1246;
A:1247;
A:1248;
B:2246;
B:2247;
B:2250;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y7I 1.9 Å NON-ENZYME: OTHER STRUCTURAL BASIS FOR HIGH ARGININE SPECIFICITY IN SALMONELLA TYPHIMURIUM PERIPLASMIC BINDING PROTEIN STM4351. SALMONELLA ENTERICA SUBSP. ENTERICA ARGININE-BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC AND MICROCALORIMETRIC ANALYSES REVEAL THE STRUCTURAL BASIS FOR HIGH ARGININE SPECIFICITY IN THE SALMONELLA ENTERICA SEROVAR TYPHIMURIUM PERIPLASMIC BINDING PROTEIN STM4351. PROTEINS V. 79 2352 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1WDN Kd = 0.5 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
2 5ITP Kd = 6.1 uM 6DB C9 H18 N4 O4 [H]/N=C(/N....
3 4POX Kd = 3.7 uM 2W2 C11 H20 N4 O6 [H]/N=C(/N....
4 2Y7I - ARG C6 H15 N4 O2 C(C[C@@H](....
5 4G4P Kd = 0.13 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
6 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
7 1LAG Kd = 500 nM HIS C6 H10 N3 O2 c1c([nH+]c....
8 2PYY Kd = 0.2 uM GLU C5 H9 N O4 C(CC(=O)O)....
9 1HSL Kd = 0.064 uM HIS C6 H10 N3 O2 c1c([nH+]c....
10 4ZV1 Kd = 5.7 uM ARG C6 H15 N4 O2 C(C[C@@H](....
11 4KQP Kd = 1.49 uM GLN C5 H10 N2 O3 C(CC(=O)N)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARG; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 HAR 0.585366 0.780488
8 VUR 0.585366 0.810811
9 4JK 0.585366 0.789474
10 VIO 0.581395 0.769231
11 WT2 0.571429 0.805556
12 DA2 0.55814 0.744186
13 3KJ 0.545455 0.680851
14 2YH 0.545455 0.65
15 1KJ 0.533333 0.744186
16 JM2 0.533333 0.731707
17 2YJ 0.521739 0.619048
18 NRG 0.521739 0.622642
19 RPI 0.521739 0.64
20 API 0.515152 0.611111
21 LN6 0.510638 0.725
22 JM7 0.5 0.731707
23 HRG 0.5 0.941176
24 D20 0.489796 0.744186
25 AS1 0.489796 0.8
26 2KJ 0.489796 0.727273
27 ORN 0.472222 0.757576
28 JM6 0.470588 0.697674
29 JM4 0.470588 0.697674
30 JM8 0.470588 0.714286
31 MLZ 0.463415 0.65
32 JM5 0.461538 0.714286
33 DLY 0.447368 0.735294
34 DAB 0.441176 0.685714
35 LYS 0.435897 0.764706
36 0TF 0.428571 0.619048
37 2YG 0.42 0.619048
38 PG3 0.416667 0.756757
39 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y7I; Ligand: ARG; Similar sites found: 38
This union binding pocket(no: 1) in the query (biounit: 2y7i.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ND6 ATP 0.02599 0.40834 None
2 3GGU 017 0.02739 0.40244 None
3 3U7S 017 0.02242 0.40278 2.0202
4 4RW3 DKA 0.002237 0.43217 2.18341
5 5U8U FAD 0.04417 0.41937 2.62009
6 1TPY SAH 0.01508 0.40831 2.62009
7 5V2J 7WV 0.03045 0.40369 4.36681
8 5V2J UDP 0.03045 0.40369 4.36681
9 4NAT 2W5 0.04351 0.40179 5
10 5ETJ IM5 0.02352 0.4158 5.24017
11 1P9P SAH 0.01521 0.40482 5.36398
12 1KPH SAH 0.01169 0.41378 5.67686
13 3ITJ CIT 0.01915 0.40418 6.11354
14 3CTL S6P 0.01288 0.40834 6.55022
15 1WQ1 AF3 0.008012 0.41781 7.86026
16 4MCC 21X 0.02447 0.40228 7.86026
17 4X7G 3Y8 0.03719 0.40344 10.3586
18 1XXR MAN 0.02004 0.40578 11.1801
19 5DT6 GLU 0.00233 0.41225 13.9738
20 3FV1 DYH 0.008529 0.42517 14.8472
21 5O4F 8VE 0.009148 0.40744 14.8472
22 5IKB KAI 0.004908 0.41815 16.5939
23 1MOQ GLP 0.01491 0.40346 17.9039
24 4IO2 GLU 0.00005873 0.51143 21.3974
25 3GCM 5GP 0.003548 0.4311 21.9512
26 4C0R GDS 0.0000008214 0.61972 22.2707
27 3OEN GLU 0.005241 0.41434 32.3144
28 4WXJ GLU 0.005802 0.40473 32.3144
29 1XT8 CYS 0.00004959 0.47858 32.7511
30 4DZ1 DAL 0.0003664 0.48264 33.1878
31 2RC8 DSN 0.003503 0.4271 33.1878
32 5DEX GLY 0.0009124 0.42766 34.0611
33 2YJP CYS 0.00001743 0.55157 39.738
34 5AA4 6X4 0.000002183 0.61373 43.6681
35 5L9O GOP 0.000002145 0.4849 44.1048
36 2Q89 6CS 0.0000001042 0.62041 44.5415
37 2YLN CYS 0.0002067 0.49346 47.1616
38 2VHA GLU 0.0002574 0.46432 47.5983
Pocket No.: 2; Query (leader) PDB : 2Y7I; Ligand: ARG; 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: 2y7i.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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