Receptor
PDB id Resolution Class Description Source Keywords
2ARC 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ESCHERICHIA COLI REGULATORY PROTEIN ARAC COMPLEXED WITH L- ARABINOSE ESCHERICHIA COLI TRANSCRIPTION FACTOR CARBOHYDRATE BINDING COILED-COIL JELLY ROLL
Ref.: STRUCTURAL BASIS FOR LIGAND-REGULATED OLIGOMERIZATION OF ARAC. SCIENCE V. 276 421 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARA A:171;
B:171;
Valid;
Valid;
none;
none;
Kd = 1 mM
150.13 C5 H10 O5 C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ARC 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ESCHERICHIA COLI REGULATORY PROTEIN ARAC COMPLEXED WITH L- ARABINOSE ESCHERICHIA COLI TRANSCRIPTION FACTOR CARBOHYDRATE BINDING COILED-COIL JELLY ROLL
Ref.: STRUCTURAL BASIS FOR LIGAND-REGULATED OLIGOMERIZATION OF ARAC. SCIENCE V. 276 421 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 2ARC Kd = 1 mM ARA C5 H10 O5 C1[C@@H]([....
2 2AAC Kd = 6 mM FCB C6 H12 O5 C[C@@H]1[C....
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 2ARC Kd = 1 mM ARA C5 H10 O5 C1[C@@H]([....
2 2AAC Kd = 6 mM FCB C6 H12 O5 C[C@@H]1[C....
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 2ARC Kd = 1 mM ARA C5 H10 O5 C1[C@@H]([....
2 2AAC Kd = 6 mM FCB C6 H12 O5 C[C@@H]1[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ARA; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ARC; Ligand: ARA; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 2arc.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DJT FMN 0.0008737 0.46865 None
2 4OMJ 2TX 0.004979 0.44977 None
3 2V0U FMN 0.0007904 0.40465 None
4 3MTX PGT 0.04874 0.40078 None
5 3RDO BTN 0.003205 0.43425 1.30719
6 1WUB OTP 0.03168 0.41641 1.82927
7 4YRD 3IT 0.006484 0.40982 1.82927
8 4GCZ FMN 0.002501 0.44606 3.04878
9 5HV0 AKG 0.00278 0.43725 3.04878
10 4J25 OGA 0.004235 0.42862 3.49345
11 1GQG DCD 0.0006313 0.48179 3.65854
12 1I06 TZL 0.003007 0.43327 3.65854
13 4XZ6 TMO 0.006362 0.40243 3.65854
14 1SWG BTN 0.03937 0.40265 3.90625
15 1DRY AAG 0.007812 0.43301 4.26829
16 2HZQ STR 0.003591 0.43276 4.26829
17 3ZDS HMQ 0.003409 0.42801 4.26829
18 3LGG CFE 0.01599 0.40023 4.26829
19 1KJ1 MAN 0.0113 0.4037 4.58716
20 5I0U DCY 0.0007229 0.46027 4.87805
21 3H9A PPY 0.001117 0.44288 4.87805
22 5F3I 5UJ 0.02415 0.43068 4.87805
23 3H7J PPY 0.0009129 0.42989 4.87805
24 1J3R 6PG 0.004879 0.42054 4.87805
25 4OCJ NDG 0.03874 0.40712 4.87805
26 4D4U FUC NDG GAL FUC 0.01271 0.4047 4.87805
27 4NES UDP 0.01737 0.40246 4.87805
28 5JSP DQY 0.01512 0.40241 4.87805
29 4QA8 PJZ 0.02624 0.40176 4.87805
30 5LN8 GAL 0.0005568 0.47946 5.34351
31 1OLM VTQ 0.004081 0.44746 5.4878
32 4C0C WVH 0.02226 0.41219 5.4878
33 4LIT AKG 0.005152 0.40175 5.4878
34 4WVW SLT 0.006362 0.41413 5.55556
35 4GGZ BTN 0.001713 0.42555 6.08696
36 4M26 AKG 0.01126 0.40712 6.09756
37 1WBI BTN 0.001697 0.44767 6.20155
38 3P3N AKG 0.001323 0.45256 6.70732
39 2XUM OGA 0.001365 0.45143 6.70732
40 2Y0I AKG 0.001995 0.44396 6.70732
41 2WA4 069 0.0006461 0.44116 6.70732
42 4B7E OGA 0.003589 0.43111 6.70732
43 3IS2 FAD 0.002368 0.46106 7.14286
44 5FLJ QUE 0.000248 0.5001 7.31707
45 4Y3O OGA 0.001463 0.45406 7.31707
46 4GJY OGA 0.002041 0.44015 7.31707
47 4CCO OGA 0.00428 0.42577 7.31707
48 1Y0G 8PP 0.02202 0.42496 7.31707
49 4CCK OGA 0.001576 0.41309 7.31707
50 2JIG PD2 0.008055 0.40753 7.31707
51 4WUJ FMN 0.0006373 0.40679 7.48299
52 5A3T MMK 0.01133 0.42869 7.92683
53 4CCN OGA 0.002052 0.44626 8.57143
54 4C2V YJA 0.03565 0.40151 9.09091
55 3AVS OGA 0.001595 0.441 9.14634
56 3ACL 3F1 0.003658 0.43372 9.7561
57 4YLL 4E3 0.02471 0.40159 9.7561
58 5LXB 7A9 0.01445 0.40054 9.7561
59 5UQD AKG 0.01209 0.40524 10.9756
60 2WKQ FMN 0.000882 0.40379 12.8049
61 4NST ADP 0.01848 0.40112 13.4146
62 5TFZ 7BC 0.001426 0.44331 15.8537
63 1H2M OGA 0.001058 0.45685 42.3077
Pocket No.: 2; Query (leader) PDB : 2ARC; Ligand: ARA; 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: 2arc.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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