Receptor
PDB id Resolution Class Description Source Keywords
4RZB 1.86 Å EC: 3.-.-.- THE STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE FROM PSEUDOMONAS AERUGINOSA COMPLEXED WITH N-FORMIMINO-L-ASPARTAW ITH MERCURY PSEUDOMONAS AERUGINOSA PAO1 AMIDOHYDROLASE FOLD N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASEFORMIMINO-L-ASPARTATE HYDROLASE
Ref.: STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE PSEUDOMONAS AERUGINOSA. BIOCHEMISTRY V. 54 890 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:507;
A:506;
B:508;
B:506;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN A:502;
B:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
NFQ A:501;
B:501;
 Valid;
Valid;
 none;
none;
 Ki = 30 uM
160.128 C5 H8 N2 O4 [H]/N...
GOL A:507;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RZB 1.86 Å EC: 3.-.-.- THE STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE FROM PSEUDOMONAS AERUGINOSA COMPLEXED WITH N-FORMIMINO-L-ASPARTAW ITH MERCURY PSEUDOMONAS AERUGINOSA PAO1 AMIDOHYDROLASE FOLD N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASEFORMIMINO-L-ASPARTATE HYDROLASE
Ref.: STRUCTURE OF N-FORMIMINO-L-GLUTAMATE IMINOHYDROLASE PSEUDOMONAS AERUGINOSA. BIOCHEMISTRY V. 54 890 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 4RZB Ki = 30 uM NFQ C5 H8 N2 O4 [H]/N=C/N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 4RZB Ki = 30 uM NFQ C5 H8 N2 O4 [H]/N=C/N[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4RZB Ki = 30 uM NFQ C5 H8 N2 O4 [H]/N=C/N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NFQ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NFQ 1 1
2 NIG 0.527778 0.870968
3 OEM 0.46875 0.69697
4 NCD 0.428571 0.777778
5 EKQ 0.428571 0.65
Similar Ligands (3D)
Ligand no: 1; Ligand: NFQ; Similar ligands found: 255
No: Ligand Similarity coefficient
1 OMD 0.9540
2 P4B 0.9471
3 OVM 0.9464
4 VPR 0.9456
5 EKN 0.9454
6 OW4 0.9436
7 TRA 0.9430
8 FLC 0.9417
9 MLE 0.9405
10 OVP 0.9392
11 CIT 0.9367
12 AN0 0.9352
13 2PG 0.9346
14 3MB 0.9346
15 1AL 0.9345
16 PEZ 0.9344
17 TRC 0.9326
18 CDT 0.9322
19 D1X 0.9322
20 NTM 0.9322
21 PDC 0.9303
22 M1E 0.9303
23 3HB 0.9301
24 PHT 0.9293
25 XSP 0.9286
26 ORO 0.9285
27 HQ9 0.9278
28 AKH 0.9274
29 AW5 0.9262
30 Q6T 0.9256
31 54G 0.9253
32 OW7 0.9243
33 7VS 0.9240
34 SC2 0.9235
35 M0Q 0.9230
36 ICT 0.9229
37 FOT 0.9227
38 GTQ 0.9225
39 4CS 0.9222
40 DOR 0.9222
41 V55 0.9219
42 VNL 0.9204
43 C2U 0.9201
44 M0W 0.9201
45 AOR 0.9200
46 CDV 0.9200
47 HLZ 0.9200
48 F12 0.9195
49 EUG 0.9190
50 GLY PRO 0.9185
51 42C 0.9181
52 5MK 0.9179
53 2AL 0.9172
54 2MN 0.9164
55 5RG 0.9154
56 OXC 0.9151
57 3R6 0.9151
58 NTC 0.9151
59 6CS 0.9149
60 F0J 0.9145
61 0FA 0.9138
62 CCB 0.9132
63 6LW 0.9131
64 IPM 0.9130
65 FRU 0.9128
66 N8P 0.9128
67 GV9 0.9126
68 FPK 0.9124
69 IPZ 0.9120
70 NMJ 0.9109
71 KLW 0.9101
72 1P3 0.9101
73 DBJ 0.9097
74 NLQ 0.9096
75 RIB 0.9089
76 34D 0.9088
77 GLY LEU 0.9087
78 LMR 0.9086
79 DIE 0.9083
80 DHK 0.9081
81 9TZ 0.9081
82 IJZ 0.9076
83 5M0 0.9076
84 ATH 0.9073
85 4AV 0.9072
86 12M 0.9068
87 R9S 0.9067
88 LEU 0.9065
89 V6F 0.9064
90 DIU 0.9060
91 ASP 0.9060
92 II6 0.9054
93 TEN 0.9047
94 3OC 0.9047
95 6XI 0.9046
96 GBN 0.9042
97 PRZ 0.9042
98 3Z7 0.9030
99 DIG 0.9029
100 AME 0.9027
101 M1H 0.9024
102 AHR 0.9024
103 60Q 0.9022
104 DBX 0.9013
105 4HM 0.9013
106 ASC 0.9005
107 AIN 0.9001
108 5WY 0.8999
109 GLY ASP 0.8996
110 2TQ 0.8996
111 R8S 0.8994
112 7N0 0.8990
113 AH8 0.8989
114 RNT 0.8984
115 OTD 0.8981
116 HLD 0.8981
117 HJP 0.8979
118 PSV 0.8976
119 KYD 0.8976
120 ASN 0.8970
121 SF6 0.8968
122 LFR 0.8965
123 FE DB1 0.8964
124 DCO 0.8962
125 ZZ8 0.8961
126 QAT 0.8961
127 9KH 0.8960
128 DPF 0.8956
129 1WD 0.8953
130 DNF 0.8949
131 261 0.8939
132 BRR 0.8938
133 JKZ 0.8933
134 M44 0.8931
135 MEV 0.8930
136 AUD 0.8928
137 ZZ3 0.8920
138 FBU 0.8920
139 KIB 0.8919
140 0CG 0.8918
141 NQM 0.8915
142 4ZC 0.8915
143 463 0.8914
144 N7P 0.8913
145 A13 0.8912
146 1U1 0.8910
147 AS3 0.8909
148 DMO 0.8907
149 3AL 0.8906
150 G2H 0.8905
151 GM7 0.8905
152 HCT 0.8895
153 DII 0.8892
154 2CG 0.8887
155 4A5 0.8887
156 BDP 0.8885
157 NLG 0.8883
158 KBB 0.8883
159 2DR 0.8882
160 2A7 0.8879
161 UNC 0.8871
162 GYE 0.8871
163 1X7 0.8870
164 SX1 0.8868
165 EV0 0.8868
166 7VJ 0.8866
167 P22 0.8865
168 1CO 0.8865
169 2EH 0.8853
170 7NI 0.8852
171 GCU 0.8849
172 AQK 0.8848
173 GLY CYS 0.8847
174 8GK 0.8847
175 4ME 0.8842
176 4M4 0.8842
177 S76 0.8840
178 0GZ 0.8839
179 7WR 0.8839
180 MJ2 0.8834
181 GJS 0.8834
182 PEP 0.8823
183 C2A 0.8823
184 791 0.8820
185 GOX 0.8812
186 8EW 0.8809
187 SF9 0.8801
188 98J 0.8800
189 6JN 0.8799
190 HMQ 0.8798
191 GCB 0.8797
192 HHT 0.8795
193 GTR 0.8793
194 EVA 0.8790
195 MAH 0.8789
196 6OT 0.8786
197 5HY 0.8783
198 EYK 0.8783
199 KIA 0.8781
200 F69 0.8780
201 1N4 0.8779
202 C4L 0.8778
203 GLY MET 0.8777
204 XQG 0.8774
205 RD4 0.8772
206 H7Y 0.8772
207 YQA 0.8769
208 X1R 0.8769
209 5UK 0.8764
210 MBG 0.8762
211 ALA LEU 0.8758
212 210 0.8753
213 DAS 0.8750
214 XQB 0.8746
215 CKU 0.8745
216 7A3 0.8744
217 FA3 0.8744
218 TZE 0.8738
219 B2J 0.8737
220 XLS 0.8735
221 AQQ 0.8731
222 3S4 0.8719
223 IXW 0.8717
224 7UC 0.8714
225 O2A 0.8714
226 P23 0.8695
227 MCO 0.8692
228 7A2 0.8687
229 0GY 0.8683
230 DQA 0.8680
231 9PY 0.8679
232 G88 0.8673
233 1DW 0.8663
234 2FG 0.8658
235 AEH 0.8646
236 FA6 0.8639
237 RBL 0.8638
238 GTL 0.8637
239 QM1 0.8615
240 KMH 0.8614
241 QDK 0.8599
242 SJ5 0.8597
243 K2P 0.8591
244 BCK 0.8587
245 NXA 0.8585
246 3C7 0.8578
247 S2T 0.8576
248 AL0 0.8570
249 KP6 0.8566
250 SDD 0.8555
251 8WQ 0.8551
252 3MF 0.8550
253 ITN 0.8550
254 FHN 0.8538
255 692 0.8528
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RZB; Ligand: NFQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4rzb.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RZB; Ligand: NFQ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4rzb.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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