Receptor
PDB id Resolution Class Description Source Keywords
2ZFZ 1.85 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN HEXAMER OF ARGR F MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH ARGININE MYCOBACTERIUM TUBERCULOSIS L-ARGININE REPRESSOR DNA BINDING PROTEIN CORE OLIGOMERIZADOMAIN ALPHA/BETA TOPOLOGY STRUCTURAL GENOMICS TB STRUCTGENOMICS CONSORTIUM TBSGC AMINO-ACID BIOSYNTHESIS ARGINIBIOSYNTHESIS DNA-BINDING TRANSCRIPTION TRANSCRIPTION REG
Ref.: STRUCTURE OF THE C-TERMINAL DOMAIN OF THE ARGININE PROTEIN FROM MYCOBACTERIUM TUBERCULOSIS. ACTA CRYSTALLOGR.,SECT.D V. 64 950 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:300;
B:300;
C:300;
D:300;
E:300;
F:300;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
GAI A:400;
E:400;
Invalid;
Invalid;
none;
none;
submit data
59.07 C H5 N3 C(=N)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZFZ 1.85 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN HEXAMER OF ARGR F MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH ARGININE MYCOBACTERIUM TUBERCULOSIS L-ARGININE REPRESSOR DNA BINDING PROTEIN CORE OLIGOMERIZADOMAIN ALPHA/BETA TOPOLOGY STRUCTURAL GENOMICS TB STRUCTGENOMICS CONSORTIUM TBSGC AMINO-ACID BIOSYNTHESIS ARGINIBIOSYNTHESIS DNA-BINDING TRANSCRIPTION TRANSCRIPTION REG
Ref.: STRUCTURE OF THE C-TERMINAL DOMAIN OF THE ARGININE PROTEIN FROM MYCOBACTERIUM TUBERCULOSIS. ACTA CRYSTALLOGR.,SECT.D V. 64 950 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 3CAG - ARG C6 H15 N4 O2 C(C[C@@H](....
2 2ZFZ - ARG C6 H15 N4 O2 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 222 families.
1 3CAG - ARG C6 H15 N4 O2 C(C[C@@H](....
2 2ZFZ - ARG C6 H15 N4 O2 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 185 families.
1 3CAG - ARG C6 H15 N4 O2 C(C[C@@H](....
2 2ZFZ - 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 : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2zfz.bio1) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZFZ; 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: 2zfz.bio1) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: 77
This union binding pocket(no: 3) in the query (biounit: 2zfz.bio1) has 102 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EE7 5MV 0.008297 0.48347 None
2 1GOJ ADP 0.02485 0.45985 None
3 5V4R MGT 0.03963 0.45214 None
4 3B9Q MLI 0.03731 0.44643 None
5 2VWA PTY 0.03309 0.4423 None
6 1RL4 BRR 0.03657 0.44157 None
7 2FR3 REA 0.02248 0.43356 None
8 4TUZ 36J 0.03904 0.43287 None
9 5BQ5 ADP BEF 0.03491 0.43237 None
10 1Z0A GDP 0.04843 0.43084 None
11 5K53 STE 0.02273 0.43048 None
12 3KAP FMN 0.02414 0.42647 None
13 4XCL AGS 0.02996 0.42434 None
14 2J9D ADP 0.03869 0.41612 None
15 4C8E C5P 0.03368 0.41215 None
16 5FVJ ACO 0.04775 0.40079 None
17 4CVN ADP 0.03943 0.4435 1.45985
18 1ORR CDP 0.00783 0.47626 3.79747
19 4PL9 ADP 0.009373 0.46767 3.79747
20 2E2P ADP 0.01917 0.44674 3.79747
21 2VVG ADP 0.04264 0.44406 3.79747
22 5TWO 7MV 0.04836 0.41361 3.79747
23 1XPJ TLA 0.02302 0.45301 5.06329
24 3H4L ANP 0.03441 0.43945 5.06329
25 5L9O GOP 0.03264 0.41986 5.06329
26 2PIA FMN 0.04495 0.41525 5.06329
27 1Z0K GTP 0.04298 0.41145 5.06329
28 4HMT FMN 0.04598 0.40355 5.06329
29 5GVR LMR 0.004392 0.49236 6.32911
30 4AG5 ADP 0.02456 0.45785 6.32911
31 3H4S ADP 0.04417 0.44211 6.32911
32 1F8I GLV 0.04892 0.43093 6.32911
33 2YW2 ATP 0.03624 0.42008 6.32911
34 4LC1 GDP 0.02961 0.44321 7.59494
35 5C2H 4XU 0.00682 0.42837 7.59494
36 5L3V GDP 0.04578 0.42582 7.59494
37 2QXL ATP 0.02806 0.4258 7.59494
38 2WMH GAL FUC 0.0473 0.4193 7.59494
39 1YP4 ADQ 0.03905 0.40693 7.59494
40 1BW9 PPY 0.01976 0.44602 8.86076
41 1C1X HFA 0.02889 0.44027 8.86076
42 4LO2 GAL BGC 0.03069 0.43132 8.86076
43 3GZ8 APR 0.02354 0.42702 8.86076
44 3WQT ANP 0.03007 0.42166 8.86076
45 3PFD FDA 0.04882 0.41099 8.86076
46 3B6C SDN 0.04105 0.44244 10.1266
47 4YSX E23 0.04417 0.44052 10.1266
48 1I4D GDP 0.04966 0.4337 10.1266
49 5K8S CMP 0.02794 0.43151 10.1266
50 4D81 ADP 0.03602 0.42854 10.1266
51 4GCZ ADP 0.03415 0.42687 10.1266
52 1H5T DAU 0.0136 0.4239 10.1266
53 5BVT PAM 0.03534 0.42065 10.1266
54 1DDG FAD 0.04937 0.41314 10.1266
55 4HK8 XYP XYP XYP XYP XYP XYP 0.0497 0.4083 10.1266
56 3E70 GDP 0.0195 0.44987 11.3924
57 4QM7 GTP 0.04428 0.4331 11.3924
58 3U4L ATP 0.03959 0.41562 11.3924
59 3D3X ARG ILE MET GLU NH2 0.04033 0.41283 11.3924
60 4IPE ANP 0.04386 0.40661 11.3924
61 1ZXM ANP 0.04303 0.40291 11.3924
62 5GLN XYS 0.04423 0.40235 11.3924
63 5GLN XYP XYP XYP 0.04423 0.40235 11.3924
64 3LRE ADP 0.01674 0.47005 12.6582
65 2PZE ATP 0.03488 0.43996 12.6582
66 2UZ1 TPP 0.04297 0.40495 12.6582
67 5CHR 4NC 0.04964 0.43022 13.9241
68 5MR6 FAD 0.04354 0.40892 13.9241
69 4C5N ACP 0.04672 0.40528 13.9241
70 5AOA PPI 0.009748 0.49685 15.1899
71 3BFX A3P 0.0272 0.42924 16.4557
72 2XVD AS6 0.02367 0.41291 16.4557
73 1YQT ADP 0.04253 0.44346 17.7215
74 5G5W R8C 0.04563 0.40172 17.7215
75 2A5F GTP 0.04764 0.407 18.9873
76 5F1X ATP 0.03147 0.40338 18.9873
77 5OCA 9QZ 0.04437 0.43381 32.9114
Pocket No.: 4; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2zfz.bio1) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2zfz.bio1) has 78 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2zfz.bio1) has 102 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: 29
This union binding pocket(no: 7) in the query (biounit: 2zfz.bio2) has 102 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.009832 0.46138 None
2 2E1A MSE 0.01026 0.44637 None
3 4R2I ANP 0.03949 0.41831 None
4 5H67 ATP 0.0279 0.41534 None
5 5CXX FER 0.03125 0.41277 None
6 5TAR GDP 0.0307 0.40671 None
7 5H2U 1N1 0.03563 0.40055 None
8 5KAX RHQ 0.04128 0.41722 5.06329
9 4WZ6 ATP 0.04663 0.41611 5.06329
10 4QAR ADE 0.02947 0.41076 5.06329
11 3URB DPF 0.03743 0.42154 6.32911
12 4UCC ZKW 0.03012 0.42328 7.59494
13 4U60 SIA 0.04787 0.41357 7.59494
14 4U60 SIA GAL NGA 0.04952 0.41153 7.59494
15 2WPW ACO 0.03746 0.40237 7.59494
16 3B9Z CO2 0.006148 0.47176 8.86076
17 4G8R 96P 0.04162 0.42119 8.86076
18 4DKX GDP 0.04566 0.40744 8.86076
19 4YDS ATP 0.02843 0.42633 10.1266
20 4RLT FSE 0.02252 0.4202 10.1266
21 5TE1 7A2 0.04046 0.41387 10.1266
22 3UPY FOM 0.04842 0.40676 10.1266
23 2WC1 FMN 0.01592 0.41458 11.3924
24 3GJ0 GDP 0.04756 0.40649 11.3924
25 2CBZ ATP 0.03147 0.42516 13.9241
26 1ZOY UQ1 0.0492 0.41229 13.9241
27 4J0Q GDP 0.04751 0.41002 17.7215
28 3KU0 ADE 0.03787 0.41355 18.9873
29 3U6B GDP 0.04359 0.41208 18.9873
Pocket No.: 8; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2zfz.bio2) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2zfz.bio2) has 78 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2zfz.bio3) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2zfz.bio3) has 94 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2ZFZ; Ligand: ARG; Similar sites found: 13
This union binding pocket(no: 12) in the query (biounit: 2zfz.bio3) has 102 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1TV5 N8E 0.02267 0.43413 None
2 1RZ1 NAD 0.0409 0.41855 None
3 2VOH CIT 0.02457 0.41819 None
4 4OAS 2SW 0.02444 0.40645 None
5 2GMH UQ5 0.01819 0.40426 None
6 2DQA NAG NAG NAG 0.04173 0.41031 2.53165
7 3LE7 ADE 0.03741 0.41818 3.79747
8 4TQK NAG 0.04198 0.41917 6.32911
9 5M04 GDP 0.03889 0.41558 7.59494
10 3CV2 COA 0.0409 0.42006 10.1266
11 5UGW GSH 0.02617 0.40146 11.3924
12 3DFR MTX 0.01769 0.42647 15.1899
13 1JG3 VAL TYR PRO IAS HIS ALA 0.03696 0.41315 22.7848
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