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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@...
View in 3D viewer
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 291 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 247 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 209 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: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 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 with APoc: 171
This union binding pocket(no: 1) in the query (biounit: 2arc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 2V0U FMN None
2 5EFW FMN None
3 4OMJ 2TX None
4 3V2Q PLM None
5 6CAY ERG None
6 2HKA C3S None
7 5DJT FMN None
8 3MTX PGT None
9 4LRJ ANP 1.21951
10 1DZK PRZ 1.27389
11 3RDO BTN 1.30719
12 5SVV FMN 1.45985
13 4BJ8 BTN 1.5873
14 1WUB OTP 1.82927
15 4YRD 3IT 1.82927
16 3GM5 CIT 1.88679
17 2Z6D FMN 2.30769
18 4HIA FMN 2.43902
19 1ZHX HC3 2.43902
20 1N9L FMN 2.75229
21 4GCZ FMN 3.04878
22 5HV0 AKG 3.04878
23 6BU0 IHP 3.05344
24 4J25 OGA 3.49345
25 1QY1 PRZ 3.65854
26 4O4K 2PK 3.65854
27 1I06 TZL 3.65854
28 2GC0 PAN 3.65854
29 3WW2 SF6 3.65854
30 4B1M FRU FRU 3.65854
31 3WW2 LPK 3.65854
32 4J36 FAD 3.65854
33 1GQG DCD 3.65854
34 4L9Z COA 3.65854
35 4XZ6 TMO 3.65854
36 4ZBR DIF 3.65854
37 4ZBR NPS 3.65854
38 2XKO AKG 3.65854
39 2PR5 FMN 3.78788
40 1SWG BTN 3.90625
41 6FXR AKG 4.26829
42 1DRY AKG 4.26829
43 1DRY AAG 4.26829
44 5IVE 6E8 4.26829
45 1TFZ 869 4.26829
46 3ZDS HMQ 4.26829
47 3N0Y APC 4.26829
48 2HZQ STR 4.26829
49 5KBE IPH 4.26829
50 3LGG CFE 4.26829
51 1Y2F WAI 4.31655
52 1GT4 UNA 4.40252
53 1KJ1 MAN 4.58716
54 3T50 FMN 4.6875
55 3H7J PPY 4.87805
56 5I0U DCY 4.87805
57 3H9A PPY 4.87805
58 5F3I 5UJ 4.87805
59 1J3R 6PG 4.87805
60 4OCJ NDG 4.87805
61 4D52 GIV 4.87805
62 4D4U FUC NDG GAL FUC 4.87805
63 4NES UDP 4.87805
64 5JSP DQY 4.87805
65 4QA8 PJZ 4.87805
66 2VAR KDG 4.87805
67 5LN8 GAL 5.34351
68 1OLM VTQ 5.4878
69 4C0C WVH 5.4878
70 5UWA 8ND 5.4878
71 6EOZ 58K 5.4878
72 6EOZ AKG 5.4878
73 6BYM HC3 5.4878
74 4LIT AKG 5.4878
75 1KGI T4A 5.51181
76 6GG9 FMN 5.55556
77 4WVW SLT 5.55556
78 4EES FMN 6.08696
79 4GGZ BTN 6.08696
80 4M26 ZZU 6.09756
81 4M26 SIN 6.09756
82 4LED XXR 6.09756
83 4M26 AKG 6.09756
84 6F5W KG1 6.09756
85 5EFQ ADP 6.09756
86 2OG7 SIN 6.09756
87 1WBI BTN 6.20155
88 4BCS BTN 6.4
89 2WA4 069 6.70732
90 3P3N AKG 6.70732
91 5JWP AKG 6.70732
92 2Y0I AKG 6.70732
93 2XUM OGA 6.70732
94 4B7E OGA 6.70732
95 5DKK FMN 6.89655
96 4EKV BTN 6.91824
97 2Z6C FMN 6.97674
98 3LA3 2FT 6.99588
99 3IS2 FAD 7.14286
100 5FLJ QUE 7.31707
101 4CCO OGA 7.31707
102 1Y0G 8PP 7.31707
103 4Y3O OGA 7.31707
104 2JIG PD2 7.31707
105 4CCK OGA 7.31707
106 4D9M 0JO 7.31707
107 3D72 FAD 7.38255
108 4WUJ FMN 7.48299
109 3P7N FMN 7.92683
110 5A3T MMK 7.92683
111 4HSJ 6PC 7.92683
112 3OVR 5SP 7.92683
113 4ZXA H8N 7.92683
114 4Q0P 0MK 8.53659
115 5IQT 6CU 8.53659
116 5IQT AKG 8.53659
117 4IGQ OGA 8.53659
118 5KBZ 3B2 8.53659
119 4BXF AKG 8.53659
120 4CCN OGA 8.57143
121 4C2V YJA 9.09091
122 6FUL E7Z 9.14634
123 2WBP ZZU 9.14634
124 2WBP SIN 9.14634
125 5XQW 8EU 9.14634
126 5Y4K AKR 9.14634
127 3MPB FRU 9.14634
128 5ZFJ 9BF 9.14634
129 5Z54 0HZ 9.14634
130 3ACL 3F1 9.7561
131 3DVA TPW 9.7561
132 1W85 TDP 9.7561
133 5LXB 7A9 9.7561
134 6HDT BTN 9.77444
135 4ZU4 4TG 10.1351
136 3H78 BE2 10.3659
137 4R38 RBF 10.7143
138 3E85 BSU 10.7595
139 3T4L ZEA 10.9756
140 1NX4 AKG 10.9756
141 1MH5 HAL 10.9756
142 5UQD AKG 10.9756
143 1QIN GIP 10.9756
144 4U03 GTP 10.9756
145 1O4T OXL 11.2782
146 5FPX GLY SER SER HIS HIS HIS HIS HIS 11.5044
147 4OIT MAN 11.5044
148 4JGP PYR 11.5854
149 1MJJ HAL 11.5854
150 6GBV FMN 11.6438
151 5OO5 UUA 12.0968
152 5IXG OTP 12.1951
153 3SCH TB6 12.1951
154 2WKQ FMN 12.8049
155 1UNB PN1 12.8049
156 1UNB AKG 12.8049
157 5TBM 79A 12.8205
158 5DJU FMN 13.1148
159 6F6D AKG 13.4146
160 5FP3 3JI 13.4146
161 4NST ADP 13.4146
162 4OJ8 AKG 15.2439
163 5TFZ 7BC 15.8537
164 3PFG TLO 15.8537
165 3PFG SAM 15.8537
166 5EZ1 ICB 20.122
167 5TPV TYD 21.5686
168 4XF6 INS 23.1707
169 4XF6 ADP 23.1707
170 4XF6 LIP 23.1707
171 1H2M OGA 42.3077
Pocket No.: 2; Query (leader) PDB : 2ARC; Ligand: ARA; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 2arc.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4PSB GA3 None
2 3G5D 1N1 2.43902
3 1KQW RTL 2.98507
4 5Y72 DST 3.04878
5 2VAR KDF 4.87805
6 4OCV ANP 4.87805
7 3GN8 DEX 5.4878
8 2GYI HYA 6.09756
9 6F6J SIN 6.09756
10 6F6J CUW 6.09756
11 5JNN 6LM 6.09756
12 3KXW 1ZZ 6.09756
13 5V1B 8UY 6.09756
14 3HSS MLA 7.31707
15 5TH5 7C5 7.31707
16 6F4T OGA 7.31707
17 4EWH T77 7.92683
18 1EQ2 NAP 7.92683
19 3ANY 2A3 7.92683
20 1XIM XYL 8.53659
21 3AVR OGA 9.14634
22 1OS7 AKG 9.14634
23 1OS7 TAU 9.14634
24 4FC7 COA 9.7561
25 4FC7 NAP 9.7561
26 5H68 AGS 10.3659
27 2MAS PIR 10.9756
28 4B3J COA 12.8049
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