Receptor
PDB id Resolution Class Description Source Keywords
2Q2A 1.79 Å NON-ENZYME: OTHER CRYSTAL STRUCTURES OF THE ARGININE-, LYSINE-, HISTIDINE- BINDING PROTEIN ARTJ FROM THE THERMOPHILIC BACTERIUM G EOBACILLUS STEAROTHERMOPHILUS GEOBACILLUS STEAROTHERMOPHILUS BASIC AMINO ACID BINDING PROTEIN ABC TRANSPORT SYSTEM THERMOPHILIC BACTERIUM TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES AND MUTATIONAL ANALYSIS OF THE ARGININE-, LYSINE-, HISTIDINE-BINDING PROTEIN ARTJ FROM GEOBACILLUS STEAROTHERMOPHILUS. IMPLICATIONS FOR INTERACTIONS OF ARTJ WITH ITS COGNATE ATP-BINDING CASSETTE TRANSPORTER, ART(MP)2 J.MOL.BIOL.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:904;
B:903;
C:902;
D:905;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 0.039 uM
175.209 C6 H15 N4 O2 C(C[C...
SO4 A:903;
B:902;
C:901;
D:904;
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
2Q2A 1.79 Å NON-ENZYME: OTHER CRYSTAL STRUCTURES OF THE ARGININE-, LYSINE-, HISTIDINE- BINDING PROTEIN ARTJ FROM THE THERMOPHILIC BACTERIUM G EOBACILLUS STEAROTHERMOPHILUS GEOBACILLUS STEAROTHERMOPHILUS BASIC AMINO ACID BINDING PROTEIN ABC TRANSPORT SYSTEM THERMOPHILIC BACTERIUM TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES AND MUTATIONAL ANALYSIS OF THE ARGININE-, LYSINE-, HISTIDINE-BINDING PROTEIN ARTJ FROM GEOBACILLUS STEAROTHERMOPHILUS. IMPLICATIONS FOR INTERACTIONS OF ARTJ WITH ITS COGNATE ATP-BINDING CASSETTE TRANSPORTER, ART(MP)2 J.MOL.BIOL.
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2Q2A Kd = 0.039 uM ARG C6 H15 N4 O2 C(C[C@@H](....
2 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
3 2Q2C Kd = 0.42 uM HIS C6 H10 N3 O2 c1c([nH+]c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2Q2A Kd = 0.039 uM ARG C6 H15 N4 O2 C(C[C@@H](....
2 2PVU Kd = 0.49 uM LYS C6 H15 N2 O2 C(CC[NH3+]....
3 2Q2C Kd = 0.42 uM HIS C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2Q2A Kd = 0.039 uM ARG C6 H15 N4 O2 C(C[C@@H](....
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 : 2Q2A; Ligand: ARG; Similar sites found: 41
This union binding pocket(no: 1) in the query (biounit: 2q2a.bio4) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B1Q NOS 0.006982 0.41513 2.57353
2 3TW1 AHN 0.01278 0.41009 4.64135
3 3QMN A3P 0.01661 0.40509 5.42636
4 4ZLU 4PW 0.01119 0.42534 5.88235
5 4ZLU ADP 0.01119 0.42534 5.88235
6 4X7G 3Y8 0.02652 0.40749 6.3745
7 5UIJ TYD 0.03545 0.40487 6.61765
8 4YRY FAD 0.03179 0.40994 9.92647
9 2Q89 6CS 0.000001968 0.5467 14.3969
10 3TUR DGL 0.01539 0.40349 14.7059
11 3I7S PYR 0.003605 0.43201 16.9118
12 4DZ1 DAL 0.000003334 0.59013 18.0147
13 5CMK LY5 0.003542 0.41129 18.5328
14 5O4F 8VE 0.002093 0.42304 25.7353
15 4YKI GLY 0.0003932 0.43332 28.5156
16 5AA4 6X4 0.000007724 0.41887 29.0441
17 4JWX 1N4 0.0004077 0.48157 32.7206
18 3OEN GLU 0.0003213 0.47379 33.8235
19 4WXJ GLU 0.0001256 0.46427 34.2007
20 1XT8 CYS 0.000003591 0.58886 34.5588
21 5DEX GLY 0.00003099 0.47246 35.2941
22 5DEX 5E0 0.006471 0.4253 35.2941
23 1PBQ DK1 0.001733 0.41225 35.2941
24 2YJP CYS 0.000001533 0.60803 36.0294
25 2RCA GLY 0.00006409 0.43413 36.0294
26 2RC8 DSN 0.00008559 0.52676 36.3971
27 3FV1 DYH 0.0002598 0.49453 36.7188
28 5DT6 GLU 0.0001785 0.45012 37.4532
29 2VHA GLU 0.000001965 0.5693 38.9706
30 4POW OP1 0.00000003139 0.55738 39.2453
31 4IO2 GLU 0.000003667 0.56026 39.9194
32 1M5B BN1 0.001748 0.50875 39.924
33 5IKB KAI 0.0003971 0.46373 40.0778
34 2YLN CYS 0.0002669 0.4905 40.8088
35 4C0R GDS 0.000003427 0.58105 41.5323
36 3N26 ARG 0.000000165 0.62827 45.122
37 5L9O GOP 0.000012 0.46895 45.1493
38 4KQP GLN 0.0000000002063 0.67122 47.4138
39 2PYY GLU 0.000002053 0.54594 48.6842
40 1LAF ARG 0.0000001801 0.63692 49.1597
41 1HSL HIS 0.00000007787 0.5755 49.1597
Pocket No.: 2; Query (leader) PDB : 2Q2A; Ligand: ARG; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 2q2a.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q8A HCS 0.006893 0.42304 2.20588
2 1G8S MET 0.006739 0.42502 2.6087
3 1UWK NAD 0.03412 0.41078 9.19118
4 5CMK GLU 0.0003231 0.40173 18.5328
Pocket No.: 3; Query (leader) PDB : 2Q2A; Ligand: ARG; Similar sites found: 1
This union binding pocket(no: 3) in the query (biounit: 2q2a.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZOK NAD 0.02718 0.40026 4.77941
Pocket No.: 4; Query (leader) PDB : 2Q2A; Ligand: ARG; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 2q2a.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2KCE D16 0.03596 0.4063 3.0303
2 1P0Z FLC 0.01644 0.40335 8.39695
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