Receptor
PDB id Resolution Class Description Source Keywords
6NPA 1.73 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF TMPB, (R)-1-HYDROXY-2- TRIMETHYLAMINOETHYLPHOSPHONATE OXYGENASE, WITH (R)-1-HYDROXT RIMETHYLAMINOETHYLPHOSPHONATE LEISINGERA CAERULEA ORGANOPHOSPHONATE IRON OXYGENASE HD-DOMAIN GENE ANNOTATIOENZYME OXIDOREDUCTASE
Ref.: A NEW MICROBIAL PATHWAY FOR ORGANOPHOSPHONATE DEGRA CATALYZED BY TWO PREVIOUSLY MISANNOTATED NON-HEME-I OXYGENASES. BIOCHEMISTRY V. 58 1627 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KVP C:203;
D:203;
 Valid;
Valid;
 none;
none;
 submit data
184.151 C5 H15 N O4 P C[N+]...
FE B:201;
D:201;
B:202;
B:203;
A:201;
C:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
55.845 Fe [Fe+3...
FE2 B:204;
D:202;
C:202;
A:202;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
55.845 Fe [Fe+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NPA 1.73 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF TMPB, (R)-1-HYDROXY-2- TRIMETHYLAMINOETHYLPHOSPHONATE OXYGENASE, WITH (R)-1-HYDROXT RIMETHYLAMINOETHYLPHOSPHONATE LEISINGERA CAERULEA ORGANOPHOSPHONATE IRON OXYGENASE HD-DOMAIN GENE ANNOTATIOENZYME OXIDOREDUCTASE
Ref.: A NEW MICROBIAL PATHWAY FOR ORGANOPHOSPHONATE DEGRA CATALYZED BY TWO PREVIOUSLY MISANNOTATED NON-HEME-I OXYGENASES. BIOCHEMISTRY V. 58 1627 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 6NPA - KVP C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 6NPA - KVP C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6NPA - KVP C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KVP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KVP 1 1
2 ODV 0.44 0.673913
Similar Ligands (3D)
Ligand no: 1; Ligand: KVP; Similar ligands found: 217
No: Ligand Similarity coefficient
1 KVV 0.9548
2 PEP 0.9528
3 PLU 0.9463
4 PC 0.9456
5 NSB 0.9410
6 0V5 0.9392
7 GZ3 0.9385
8 R67 0.9367
9 PEQ 0.9356
10 3SL 0.9354
11 RTK 0.9347
12 PPR 0.9337
13 1GP 0.9257
14 AT3 0.9218
15 4LR 0.9206
16 KMH 0.9204
17 PGA 0.9204
18 X1S 0.9187
19 3PG 0.9182
20 HG3 0.9182
21 2PG 0.9172
22 PGH 0.9171
23 CCD 0.9170
24 152 0.9168
25 G3H 0.9167
26 LEU 0.9158
27 GVM 0.9158
28 CHH 0.9158
29 XXG 0.9154
30 LMR 0.9129
31 ASP 0.9128
32 13P 0.9123
33 AL0 0.9114
34 OAA 0.9076
35 NM2 0.9076
36 NM3 0.9076
37 G3P 0.9062
38 MLT 0.9054
39 GP9 0.9051
40 SEP 0.9040
41 CCE 0.9025
42 NLP 0.9024
43 GPJ 0.9024
44 GPF 0.9024
45 HL5 0.9017
46 GUA 0.8990
47 JYD 0.8990
48 DYA 0.8990
49 FBW 0.8990
50 SOR 0.8986
51 QMP 0.8985
52 1SA 0.8985
53 DAL DAL 0.8980
54 ASN 0.8974
55 AKG 0.8969
56 PMB 0.8964
57 IP8 0.8960
58 TEO 0.8954
59 1DV 0.8953
60 3HG 0.8950
61 X0V 0.8947
62 GLN 0.8941
63 ICF 0.8936
64 1X4 0.8935
65 RUJ 0.8930
66 MPH 0.8923
67 Q02 0.8922
68 CMS 0.8920
69 COI 0.8918
70 DYT 0.8914
71 3PP 0.8913
72 4SX 0.8908
73 FB2 0.8908
74 HPV 0.8904
75 SRT 0.8904
76 XCZ 0.8903
77 ACH 0.8900
78 3S5 0.8898
79 FCR 0.8893
80 PSE 0.8893
81 GLU 0.8893
82 FUM 0.8891
83 HIS 0.8890
84 EKZ 0.8889
85 MLE 0.8886
86 OSE 0.8883
87 LTL 0.8883
88 DGL 0.8878
89 TSU 0.8875
90 FBS 0.8873
91 TPO 0.8869
92 SAN 0.8869
93 AMS 0.8869
94 AAS 0.8869
95 TLA 0.8869
96 FB1 0.8868
97 HPS 0.8864
98 HMS 0.8858
99 4J8 0.8847
100 129 0.8847
101 51R 0.8844
102 OGA 0.8844
103 SIN 0.8841
104 IFP 0.8841
105 CFI 0.8839
106 SPV 0.8838
107 TAR 0.8836
108 4FH 0.8826
109 HSO 0.8825
110 ONL 0.8822
111 PEZ 0.8822
112 SYC 0.8821
113 DBX 0.8820
114 MDN 0.8820
115 RNT 0.8819
116 E4P 0.8813
117 TIU 0.8812
118 KBB 0.8810
119 FBV 0.8810
120 SD4 0.8806
121 URP 0.8800
122 GGL 0.8793
123 2IT 0.8793
124 3BU 0.8791
125 1SH 0.8789
126 FOC 0.8786
127 Q03 0.8785
128 9ON 0.8783
129 B85 0.8783
130 LLQ 0.8782
131 S2G 0.8782
132 2HG 0.8780
133 FSG 0.8780
134 2RH 0.8779
135 3YP 0.8779
136 K5W 0.8772
137 2AS 0.8771
138 MZT 0.8769
139 HX2 0.8763
140 RNS 0.8762
141 CYX 0.8756
142 GAB 0.8753
143 SYM 0.8752
144 ISZ 0.8750
145 AHB 0.8749
146 3OC 0.8747
147 MTL 0.8743
148 173 0.8738
149 5XB 0.8732
150 PMF 0.8732
151 4MV 0.8731
152 DGN 0.8730
153 SOL 0.8720
154 PHB 0.8714
155 GTK 0.8710
156 PZI 0.8700
157 MAH 0.8698
158 ORN 0.8693
159 NPO 0.8692
160 RAT 0.8691
161 NLE 0.8685
162 8OZ 0.8681
163 PBZ 0.8680
164 GJZ 0.8680
165 PAB 0.8679
166 2PN 0.8675
167 SIF 0.8674
168 BEN 0.8674
169 4NC 0.8674
170 7N0 0.8670
171 6M4 0.8668
172 2HO 0.8665
173 BHO 0.8664
174 A09 0.8662
175 449 0.8662
176 3PO 0.8660
177 MWP 0.8657
178 8GL 0.8654
179 INO 0.8651
180 FK8 0.8649
181 SMN 0.8647
182 PBC 0.8647
183 GLY GLY 0.8644
184 NIZ 0.8641
185 XX3 0.8638
186 PAC 0.8637
187 R9M 0.8635
188 K34 0.8634
189 PHU 0.8629
190 OK7 0.8628
191 3AB 0.8625
192 M45 0.8623
193 TPA 0.8622
194 NCA 0.8621
195 QY9 0.8617
196 1Y6 0.8617
197 AC6 0.8614
198 9RW 0.8611
199 P72 0.8608
200 BNS 0.8604
201 FF3 0.8603
202 HBD 0.8590
203 A20 0.8588
204 DHS 0.8585
205 CXP 0.8585
206 8K2 0.8585
207 RMN 0.8579
208 LPK 0.8575
209 Q07 0.8574
210 0OC 0.8571
211 7WG 0.8567
212 SHF 0.8567
213 4P0 0.8565
214 7BC 0.8564
215 POP 0.8551
216 NNO 0.8520
217 RSO 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6NPA; Ligand: KVP; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6npa.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4MLM TLA 47.9592
Pocket No.: 2; Query (leader) PDB : 6NPA; Ligand: KVP; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 6npa.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4MLM TLA 47.9592
2 4MLM TLA 47.9592
3 4MLM TLA 47.9592
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