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Receptor
PDB id Resolution Class Description Source Keywords
1UJP 1.34 Å EC: 4.2.1.20 CRYSTAL STRUCTURE OF TRYPTOPHAN SYNTHASE A-SUBUNIT FROM THER THERMOPHILUS HB8 THERMUS THERMOPHILUS TRYPTOPHAN SYNTHASE TRYPTOPHAN RIKEN STRUCTURAL GENOMICS/PINITIATIVE RSGI STRUCTURAL GENOMICS LYASE
Ref.: STABILIZATION MECHANISM OF THE TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT FROM THERMUS THERMOPHILUS HB8: X-RAY CRYSTALLOGRAPHIC ANALYSIS AND CALORIMETRY. J.BIOCHEM.(TOKYO) V. 138 343 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:1001;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UJP 1.34 Å EC: 4.2.1.20 CRYSTAL STRUCTURE OF TRYPTOPHAN SYNTHASE A-SUBUNIT FROM THER THERMOPHILUS HB8 THERMUS THERMOPHILUS TRYPTOPHAN SYNTHASE TRYPTOPHAN RIKEN STRUCTURAL GENOMICS/PINITIATIVE RSGI STRUCTURAL GENOMICS LYASE
Ref.: STABILIZATION MECHANISM OF THE TRYPTOPHAN SYNTHASE ALPHA-SUBUNIT FROM THERMUS THERMOPHILUS HB8: X-RAY CRYSTALLOGRAPHIC ANALYSIS AND CALORIMETRY. J.BIOCHEM.(TOKYO) V. 138 343 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1UJP - CIT C6 H8 O7 C(C(=O)O)C....
2 1WXJ - IPL C11 H14 N O4 P c1ccc2c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1UJP - CIT C6 H8 O7 C(C(=O)O)C....
2 1WXJ - IPL C11 H14 N O4 P c1ccc2c(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1UJP - CIT C6 H8 O7 C(C(=O)O)C....
2 1WXJ - IPL C11 H14 N O4 P c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UJP; Ligand: CIT; Similar sites found with APoc: 226
This union binding pocket(no: 1) in the query (biounit: 1ujp.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6ACS CIT None
2 3TW1 AHN 1.26582
3 5KJW 53C 1.47601
4 3H22 B53 1.47601
5 4XTX 590 1.48148
6 2W58 ADP 1.48515
7 3U6W KIV 1.84502
8 1SR9 KIV 1.84502
9 1G6H ADP 1.94553
10 1QDS PGA 1.99203
11 5VM6 9EG 2.18978
12 3FIU POP 2.21402
13 1ICP FMN 2.21402
14 6GW4 CHO 2.21402
15 1M26 GAL A2G 2.25564
16 2KCE D16 2.27273
17 2BTM PGA 2.58303
18 3N9R TD3 2.58303
19 4IXH IMP 2.58303
20 5YJS SAL 2.58303
21 3C56 PH4 2.58303
22 5XHA FRU 2.58303
23 3WG6 NDP 2.58303
24 1SGJ OAA 2.58303
25 3EXS 5RP 2.71493
26 1KJ1 MAN 2.75229
27 1C9K 5GP 2.77778
28 1L7N AF3 2.8436
29 6BVE PGA 2.85714
30 3NHB ADP 2.94118
31 5UKL SIX 2.95203
32 4H8N NDP 2.95203
33 5J5R 6G1 2.95203
34 5J5R IMP 2.95203
35 5C9P FUC 2.95203
36 1QPR PPC 2.95203
37 3HQP OXL 2.95203
38 3UWV 2PG 3.06513
39 3VC1 GST 3.20513
40 1Q6O LG6 3.24074
41 3F8D FAD 3.32103
42 6B9R 2HE 3.32103
43 6F5W KG1 3.32103
44 1W8S FBP 3.42205
45 2HW1 FRU 3.69004
46 4JYD SAH 3.69004
47 5WAN FMN 3.69004
48 1TDF NAP 3.69004
49 4WZH FMN 3.69004
50 1RZM E4P 3.69004
51 2WPB ZZI 3.69004
52 4Z1D PEP 3.69004
53 5NDF LU2 3.69004
54 4I9A NCN 3.81944
55 1DZK PRZ 3.82166
56 3AXK NDP 3.87597
57 4EWN 0VR 3.95257
58 3C2O NTM 4.05904
59 2C6Q NDP 4.05904
60 3C3N FMN 4.05904
61 2C6Q IMP 4.05904
62 2YAJ 4HP 4.05904
63 6B3V 7DQ 4.05904
64 6B3V ANP 4.05904
65 2FLI DX5 4.09091
66 5T9C G3P 4.10448
67 1VKF CIT 4.25532
68 2F6U CIT 4.2735
69 5A5W GUO 4.34783
70 4UTW RFW 4.36681
71 4UTU LRY 4.36681
72 3GM5 CIT 4.40252
73 1OX5 1PR 4.42804
74 3BW2 FMN 4.42804
75 2GJN FMN 4.42804
76 2GJN NIS 4.42804
77 4WZ6 ATP 4.42804
78 6BKA FMN 4.42804
79 1EIX BMQ 4.4898
80 1V1A KDG 4.53074
81 5TVF CGQ 4.70588
82 3VKC FPQ 4.79705
83 6DVH FMN 4.79705
84 4D4U FUC GAL NAG 4.79705
85 1GVF PGH 4.79705
86 5KZD RCJ 4.79705
87 5M42 FMN 5.16605
88 2G37 FAD 5.16605
89 3A23 GAL 5.16605
90 5O22 C3R 5.16605
91 1HGX 5GP 5.46448
92 1DQX BMP 5.53506
93 1O68 KIV 5.53506
94 2Q3O FMN 5.53506
95 5FBK TCR 5.53506
96 5A89 FMN 5.53506
97 5YRV 5AD 5.53506
98 4JEJ 1GP 5.7377
99 4KCT PYR 5.81162
100 3GAY P6T 5.90406
101 2HSA FMN 5.90406
102 3MKK GLC BGC 5.90406
103 1TIW FAD 5.90406
104 1TIW TFB 5.90406
105 3G6K POP 5.90406
106 3G6K FAD 5.90406
107 3B2Q ATP 5.90406
108 4BXF AKG 5.90406
109 3B0P FMN 6
110 5WS9 OXL 6.27306
111 4Q4K FMN 6.27306
112 5XFV FMN 6.27306
113 2R14 TXD 6.27306
114 2YFO GAL 6.27306
115 2YFO GLA 6.27306
116 2G50 PYR 6.27306
117 2R14 FMN 6.27306
118 1UUO BRF 6.27306
119 1UUO ORO 6.27306
120 1UUO FMN 6.27306
121 1P4C FMN 6.27306
122 5WS9 ATP 6.27306
123 4X1Z FUC GAL NDG 6.27306
124 4YMZ 13P 6.3745
125 2TPS TPS 6.60793
126 4ORM FMN 6.64207
127 4ORM ORO 6.64207
128 4ORM 2V6 6.64207
129 6AR9 3L4 6.64207
130 1TV5 FMN 6.64207
131 4DDY DN6 6.64207
132 2RDT FMN 7.01107
133 2Q8Z NUP 7.01107
134 3TAO PGH 7.01107
135 4A3U FMN 7.01107
136 2ZRU FMN 7.01107
137 4JLS 3ZE 7.23684
138 1SW0 PGA 7.25806
139 1TRD PGH 7.6
140 4P83 U5P 7.69231
141 2X65 M1P 7.7381
142 2Y88 2ER 7.74908
143 4NAE 1GP 7.74908
144 1OFD FMN 7.74908
145 1OFD AKG 7.74908
146 3GLC R5P 7.74908
147 1MEX RAC 7.90698
148 1M3U KPL 8.33333
149 4IP7 FLC 8.48709
150 4IGH FMN 8.48709
151 4IGH 1EA 8.48709
152 4IGH ORO 8.48709
153 2AGC DAO 8.64198
154 3ANY 2A3 8.74525
155 3PE2 E1B 8.85609
156 2GOU FMN 8.85609
157 1AJ0 SAN 8.85609
158 1AJ0 PH2 8.85609
159 4RD0 GDP 8.85609
160 3SJU NDP 8.85609
161 1TB3 FMN 9.22509
162 1OVD ORO 9.22509
163 1OVD FMN 9.22509
164 3B8I OXL 9.22509
165 4NAT 2W5 9.375
166 5AHN IMP 9.5941
167 3MI2 PFU 9.5941
168 4HKP TKW 9.5941
169 1AL8 FMN 9.5941
170 1AL8 DHP 9.5941
171 3T7V MD0 9.5941
172 4HKP 16B 9.5941
173 4Z87 5GP 9.5941
174 3KYF 5GP 5GP 9.95671
175 1KBI FMN 9.9631
176 1KBI PYR 9.9631
177 1KBJ FMN 9.9631
178 2YPI PGA 9.9631
179 5KF6 FAD 9.9631
180 5KF6 TFB 9.9631
181 2QCD U5P 10
182 4H6Q TFB 10.3321
183 1GTE IUR 10.3321
184 1GTE FMN 10.3321
185 4H6Q FAD 10.3321
186 5GVH FMN 10.5096
187 4OIT MAN 10.6195
188 2XN2 GLA 10.7011
189 4AF0 IMP 11.0701
190 4CW5 FMN 11.0701
191 2ZYF AKG 11.0701
192 3S5Y DGJ 11.0701
193 5EYW PGA 11.0701
194 1LYX PGA 11.8081
195 1PVN MZP 11.8081
196 1ME8 RVP 11.8081
197 4BI7 PGA 12.0623
198 3MJY IJZ 12.1771
199 3MJY FMN 12.1771
200 1I06 TZL 12.2222
201 3NZ1 3NY 12.5461
202 5OKT 9XK 12.5461
203 1DBT U5P 12.5523
204 3IWD M2T 12.9032
205 2FJK 13P 12.9151
206 4Z0G 5GP 12.9151
207 3OZG SSI 12.9151
208 1T3Q MCN 12.9151
209 5WL1 CUY 13.6531
210 5WL1 D3D 13.6531
211 2Z6J FMN 14.0221
212 2Z6I FMN 14.0221
213 4NMC FAD 14.0221
214 4NMC 2OP 14.0221
215 5O0B 9FE 14.1975
216 1M5W DXP 14.3911
217 3QH2 3NM 14.4796
218 1F76 FMN 14.7601
219 6G9I CXX 15.4762
220 1LBF 137 19.4332
221 1T0S BML 19.7674
222 1GXU 2HP 26.3736
223 3OVR 5SP 33.7719
224 5CSS G3P 34.0708
225 1X1Z BMP 36.9048
226 1LOR BMP 37.7193
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