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Receptor
PDB id Resolution Class Description Source Keywords
2CJU 2.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE TEPC15-VK45.1 ANTI-2-PHENYL-5- OXAZOLONE NQ16-113.8 SCFV IN COMPLEX WITH PHOXGABA MUS MUSCULUS SCFV ANTIBODY IMMUNOGLOBULIN 2-PHENYL-5-OXAZOLONE IMMUNOGLOBULIN DOMAIN IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS OF AFFINITY MATURATION OF THE TEPC15/V(KAPPA)45.1 ANTI-2-PHENYL-5-OXAZOLONE ANTIBODIES. J.MOL.BIOL. V. 359 1161 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHX H:1114;
Valid;
none;
submit data
274.272 C14 H14 N2 O4 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CJU 2.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE TEPC15-VK45.1 ANTI-2-PHENYL-5- OXAZOLONE NQ16-113.8 SCFV IN COMPLEX WITH PHOXGABA MUS MUSCULUS SCFV ANTIBODY IMMUNOGLOBULIN 2-PHENYL-5-OXAZOLONE IMMUNOGLOBULIN DOMAIN IMMUNE SYSTEM
Ref.: STRUCTURAL BASIS OF AFFINITY MATURATION OF THE TEPC15/V(KAPPA)45.1 ANTI-2-PHENYL-5-OXAZOLONE ANTIBODIES. J.MOL.BIOL. V. 359 1161 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 3DUS - KDO C8 H14 O8 C1[C@H]([C....
7 3DUR - KDO C8 H14 O8 C1[C@H]([C....
8 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
9 3DUU - KDO C8 H14 O8 C1[C@H]([C....
10 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
8 3DUS - KDO C8 H14 O8 C1[C@H]([C....
9 3DUR - KDO C8 H14 O8 C1[C@H]([C....
10 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
11 3DUU - KDO C8 H14 O8 C1[C@H]([C....
12 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
13 5XCU - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
14 5XCS - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
15 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
16 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
17 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PHX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CJU; Ligand: PHX; Similar sites found with APoc: 218
This union binding pocket(no: 1) in the query (biounit: 2cju.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5GS9 ARG None
2 2HF9 GSP None
3 2POC UD1 None
4 2AG4 OLA 1.65289
5 2AG4 LP3 1.65289
6 4USI ATP 1.76991
7 3NZ1 3NY 1.76991
8 3KYF 5GP 5GP 2.65487
9 2RDK MAN MAN 2.75229
10 5W8Q BU4 3.30579
11 3I3X U22 3.30579
12 1PQ7 ARG 3.53982
13 5JIC ADP 3.53982
14 5JIC N7E 3.53982
15 5YU3 PRO 3.53982
16 5YU3 NAD 3.53982
17 3TAO PGH 3.53982
18 4RD0 GDP 4.13223
19 1EE0 CAA 4.13223
20 4NE2 ADP 4.13223
21 3MB5 SAM 4.13223
22 2QHS OCA 4.42478
23 2QHV OC9 4.42478
24 4X8O AP5 4.42478
25 1ME8 RVP 4.95868
26 1PVN MZP 4.95868
27 1UTJ ABN 4.95868
28 4L3L 5FI 4.95868
29 4B16 NAG 4.95868
30 1F8G NAD 4.95868
31 5TVF CGQ 4.95868
32 6B8B ADP 4.95868
33 5LMK 6ZK 4.95868
34 2GJN NIS 4.95868
35 3FIU AMP 4.95868
36 1F52 ADP 5.30973
37 5WS9 AMP 5.30973
38 1ZGS XMM 5.30973
39 2HMT NAI 5.30973
40 4H2D FMN 5.30973
41 4RT1 C2E 5.35714
42 2IU8 PLM 5.78512
43 1NFS DED 5.78512
44 4ONQ SFG 5.78512
45 1V2X SAM 5.78512
46 2D3M COA 5.78512
47 2H21 SAM 5.78512
48 2AJ4 GLA 5.78512
49 1L1E SAH 5.78512
50 2CH5 NAG 5.78512
51 3RZ3 U94 5.78512
52 2J9D ADP 5.88235
53 2J9D AMP 5.88235
54 2J9C ATP 5.88235
55 3IWD M2T 5.88235
56 5XLY C2E 6.19469
57 5Y4R C2E 6.19469
58 3LKJ LKJ 6.19469
59 3NKS ACJ 6.19469
60 3LL5 IPE 6.19469
61 3LL5 ADP 6.19469
62 3FYS PLM 6.19469
63 3MTX PGT 6.19469
64 2WAT COA 6.19469
65 4Z87 GDP 6.19469
66 1UYY BGC BGC 6.19469
67 6B3V 7DQ 6.61157
68 6B3V ANP 6.61157
69 3EFS BTN 6.61157
70 1BW9 PPY 6.61157
71 5O1I 9GH 6.61157
72 5MST FUM 6.61157
73 1C1X HFA 6.61157
74 1P1C SAH 6.61157
75 5MST AMP 6.61157
76 1RQ2 CIT 6.61157
77 2PA4 UPG 6.61157
78 1WUU ANP 6.61157
79 6F97 FAD 6.61157
80 1XCL SAH 6.61157
81 3LF0 ATP 7.07965
82 5MW4 5JU 7.07965
83 1SL3 170 7.07965
84 1A2C 34H LEU PRJ OAR 7.07965
85 4AX9 N5N 7.07965
86 1EB1 ZAL PRO MMO 7.07965
87 2I7N ACO 7.07965
88 3B4Y F42 7.07965
89 2ANM CDO 7.07965
90 3TKA SAM 7.07965
91 5JFL NAD 7.07965
92 2Z9C FMN 7.07965
93 2Z9C DTC 7.07965
94 1D9I 00P 7.07965
95 1EZ0 NAP 7.07965
96 2ANK N12 7.07965
97 2EW5 Y12 7.07965
98 4IEN GDP 7.43802
99 4UP3 FAD 7.43802
100 2BNF UTP 7.43802
101 5TCI 79V 7.43802
102 4O97 NTX 7.9646
103 6ALW BMJ 7.9646
104 2XGT NSS 7.9646
105 2WCJ M21 7.9646
106 5L9O GOP 7.9646
107 2WOX NDP 7.9646
108 4DQ2 BTX 8.26446
109 2C6Q NDP 8.26446
110 2BNE U5P 8.26446
111 6CMJ F6J 8.26446
112 1V3S ATP 8.62069
113 4DXD 9PC 8.84956
114 5FLJ QUE 8.84956
115 5BVE 4VG 8.84956
116 2QIA U20 8.84956
117 3TCT 3MI 8.84956
118 5XDT MB3 8.84956
119 5TUF TDC 9.09091
120 4CFP NAG AMU NAG AMV 9.09091
121 2NVA PL2 9.09091
122 2QV7 ADP 9.09091
123 5WB6 9ZM 9.73451
124 1NFU RRP 9.73451
125 5Q0F 9FA 9.73451
126 3K56 IS3 9.73451
127 2VL1 GLY GLY 9.73451
128 2VH6 GSV 9.73451
129 4UBT 3G6 9.73451
130 5TZO 7V7 9.91736
131 5UKL SIX 9.91736
132 1LSH PLD 10.0313
133 1XUJ BOZ 10.6195
134 5FUI APY 10.6195
135 2WLG SOP 10.6195
136 2XCG XCG 10.6195
137 3DZ6 M8E 10.7438
138 3NCQ ATP 10.7438
139 5EJL C2E 10.7438
140 5NIU 8YZ 10.7438
141 5CEO 50D 10.7438
142 1I7M CG 10.7438
143 5N2D 8J8 10.7438
144 5ZFJ 9BF 11.5044
145 2I6A 5I5 11.5044
146 2I8T GDD 11.5044
147 3LZW FAD 11.5044
148 3DJF BC3 11.5044
149 2PFC PLM 11.5044
150 1H82 GZZ 11.5702
151 3S1S SAH 11.5702
152 5LA1 XYP 11.5702
153 5YRV 5AD 11.5702
154 2GMH UQ5 11.5702
155 3L9R L9Q 12.2449
156 3L9R L9R 12.2449
157 2GJ8 ALF GDP 12.3894
158 1VPV PLM 12.3894
159 2OJW ADP 12.3894
160 4RIF 3R2 12.3894
161 3E85 BSU 12.3894
162 2A8X FAD 12.3967
163 4O9S 2RY 12.3967
164 6CI9 NAP 12.3967
165 2RCU BUJ 12.3967
166 3X44 PUS 12.3967
167 4M52 FAD 13.2231
168 4M52 M52 13.2231
169 1WDK NAD 13.2743
170 2P8O BVA 13.4021
171 4XTX 590 14.0496
172 6A9F 9BF 14.0496
173 3ACL 3F1 14.1593
174 5ERG SAM 15.0442
175 3TEG DAH 15.0442
176 2P3T 993 15.3846
177 2RDE C2E 15.7025
178 3KYG 5GP 5GP 15.7025
179 1TT8 PHB 15.7025
180 4RYV ZEA 15.7025
181 4B0T ADP 15.9292
182 1VA6 P2S 15.9292
183 1VA6 ADP 15.9292
184 5HR5 ADP 15.9292
185 4DHY GLC 15.9292
186 1HXD BTN 16.5289
187 4HWT 1B2 16.5289
188 4J7H TLO 16.8142
189 4J7H TRH 16.8142
190 5TVA COA 17.3554
191 3VC1 GST 17.3554
192 1WPY BTN 17.6991
193 5L2R MLA 17.6991
194 6GAS FAD 17.6991
195 5IXH OTP 17.6991
196 4ZOA IFM 17.6991
197 6DQU GLY ILE ILE ASN THR LEU 18.1818
198 5U3F 7TS 18.1818
199 2W5P CL8 19.0083
200 5J5R 6G1 19.469
201 5J5R IMP 19.469
202 4GLW NMN 20.354
203 5MSD BEZ 20.6612
204 3VPH OXM 21.2389
205 3VPH NAD 21.2389
206 5O3Q CMP 21.6667
207 4L2I NAD 23.1405
208 4L2I FAD 23.1405
209 1K6M AGS 23.1405
210 2DXU BT5 23.8938
211 6CZI 38E 24.1071
212 1OSS BEN 24.7934
213 5OM2 DXT 25
214 4BTI 7R9 25
215 2PT9 S4M 26.5487
216 1OXV ANP 35.5372
217 2EC9 24X 36
218 3HUJ AGH 43.8017
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