Receptor
PDB id Resolution Class Description Source Keywords
3SVL 2.2 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF THE IMPROVEMENT OF CHRR - A MULTI-PURPOS ESCHERICHIA COLI E. COLI CHRR ENZYME CHROMATE BIOREMEDIATION TETRAMER ROLEMUTANT ENZYMES OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CHRR-A QUINONE REDUCTASE WITH CAPACITY TO REDUCE CHROMATE. PLOS ONE V. 7 36017 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
FMN A:200;
B:200;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SVL 2.2 Å NON-ENZYME: OTHER STRUCTURAL BASIS OF THE IMPROVEMENT OF CHRR - A MULTI-PURPOS ESCHERICHIA COLI E. COLI CHRR ENZYME CHROMATE BIOREMEDIATION TETRAMER ROLEMUTANT ENZYMES OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CHRR-A QUINONE REDUCTASE WITH CAPACITY TO REDUCE CHROMATE. PLOS ONE V. 7 36017 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3SVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3SVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3S2Y - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3SVL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAS 0.543307 0.876543
5 FAD 0.543307 0.876543
6 FAE 0.539062 0.865854
7 DAL FAD PER 0.5 0.833333
8 LFN 0.475 0.643836
9 C3F 0.473684 0.74359
10 CF4 0.463918 0.734177
11 FAY 0.446043 0.864198
12 FNR 0.444444 0.909091
13 RFL 0.442857 0.845238
14 4LS 0.411215 0.875
15 1VY 0.406593 0.769231
16 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3svl.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found: 29
This union binding pocket(no: 2) in the query (biounit: 3svl.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1A99 PUT 0.01671 0.40393 2.59067
2 2OHH FMN 0.0003839 0.42672 4.14508
3 3QDV A2G 0.02578 0.41782 4.8951
4 3QDW A2G 0.02643 0.41634 4.8951
5 3QDY A2G GAL 0.03772 0.40412 4.8951
6 3QDT A2G GAL 0.03912 0.40308 4.8951
7 3KAP FMN 0.002769 0.42516 5.44218
8 5NUL FMN 0.005561 0.40601 6.52174
9 3JSX CC2 0.0006684 0.50375 6.73575
10 3JSX FAD 0.0001 0.49136 6.73575
11 3F6R FMN 0.004575 0.40972 6.75676
12 3N39 FMN 0.005816 0.41421 7.77202
13 4NOS ITU 0.0107 0.41286 8.29016
14 4C0X FMN 0.00004796 0.43249 9.32642
15 4C0X AQN 0.00007211 0.40476 9.32642
16 4R81 FMN 0.00002246 0.49052 9.84456
17 2BVE PH5 0.004885 0.44076 10.084
18 4LTN FMN 0.00007122 0.47027 11.399
19 4LTN NAI 0.00008977 0.45045 11.399
20 4N65 AQN 0.000002371 0.57096 12.2642
21 4N65 FMN 0.000004883 0.56288 12.2642
22 1QRD FAD 0.001979 0.42977 17.0984
23 2Z9C FMN 0.00001008 0.50335 20.2073
24 1T5B FMN 0.00001965 0.50309 20.7254
25 1E5D FMN 0.0004764 0.46301 20.7254
26 1BVY FMN 0.002816 0.40079 23.0366
27 1T0I FMN 0.00006853 0.49178 26.7016
28 3GFS FMN 0.00001151 0.54327 29.8851
29 4PTZ FMN 0.000009978 0.52573 43.4555
Pocket No.: 3; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3svl.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3SVL; Ligand: FMN; Similar sites found: 240
This union binding pocket(no: 4) in the query (biounit: 3svl.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PTR PRB 0.0008055 0.4657 None
2 1UO5 PIH 0.01192 0.44198 None
3 4F4S EFO 0.001658 0.43139 None
4 4JCA CIT 0.02364 0.41759 None
5 4AF5 CIT 0.009272 0.41116 None
6 1LYX PGA 0.00267 0.40309 None
7 2YD6 FLC 0.0005825 0.54132 1.03627
8 4COQ SAN 0.001134 0.45142 1.21457
9 4B16 NAG 0.002429 0.4691 1.5544
10 9LDB OXM 0.004121 0.45717 1.5544
11 9LDT OXM 0.005547 0.45046 1.5544
12 4JWX 1N4 0.009389 0.40041 1.5544
13 1WTC ACP 0.001546 0.45274 2.07254
14 3ZOD HQE 0.00003486 0.40691 2.07254
15 3ZOD FMN 0.00003486 0.40691 2.07254
16 4BAS GNP 0.001974 0.40533 2.07254
17 2QJN KDG 0.002471 0.40431 2.07254
18 1Y9Q MED 0.007915 0.4142 2.08333
19 2W3L DRO 0.024 0.41015 2.08333
20 1Y2W NAG 0.0005362 0.46575 2.11268
21 3F81 STT 0.01571 0.41936 2.18579
22 3LTW HLZ 0.000114 0.49538 2.59067
23 1RYI GOA 0.006727 0.46613 2.59067
24 1R37 NAD 0.001131 0.43254 2.59067
25 3CXO 3LR 0.000923 0.42888 2.59067
26 3D2Y AH0 ALA FGA LYS 0.0002826 0.42202 2.59067
27 1T3D CYS 0.01037 0.41487 2.59067
28 3Q9T FAY 0.004758 0.41363 2.59067
29 2P41 G1G 0.00401 0.41043 2.59067
30 2J8Z NAP 0.005035 0.40196 2.59067
31 1ZJ6 G3D 0.003584 0.40282 2.6738
32 2QLX RM4 0.01414 0.40868 2.77778
33 1JAC AMG 0.0007595 0.49532 3.00752
34 4HA6 PXM 0.001776 0.43626 3.10881
35 2Q8H TF4 0.01683 0.41787 3.10881
36 1P9B HDA 0.006702 0.4117 3.10881
37 3CQ5 PMP 0.003835 0.4112 3.10881
38 2NCD ADP 0.008453 0.40741 3.10881
39 4E28 0MZ 0.01038 0.4036 3.10881
40 1VR0 3SL 0.005958 0.40358 3.10881
41 3W54 RNB 0.002972 0.40141 3.10881
42 1A5V Y3 0.004854 0.41768 3.16456
43 4F8L GAL 0.0009995 0.50075 3.44828
44 2Z9V PXM 0.0003973 0.45688 3.62694
45 3ZPG 5GP 0.003202 0.45377 3.62694
46 2BLE 5GP 0.003008 0.43797 3.62694
47 3JQ3 ADP 0.0006341 0.43641 3.62694
48 2YFT DQR 0.0002565 0.43462 3.62694
49 3L6R MLI 0.004288 0.43246 3.62694
50 1GPJ CIT 0.004029 0.42715 3.62694
51 1QH9 LAC 0.006396 0.41828 3.62694
52 2QIA U20 0.009066 0.41468 3.62694
53 4LHM AZZ 0.005901 0.41406 3.62694
54 4LIT AKG 0.006474 0.41235 3.62694
55 3IB8 AMP 0.001709 0.41012 3.62694
56 3CL5 SIO 0.01727 0.40467 3.62694
57 2V7T SAH 0.04566 0.40224 3.62694
58 2HGZ PBF 0.003482 0.40183 3.62694
59 1JA9 NDP 0.009617 0.42265 3.64964
60 3WUD GLC GAL 0.007258 0.42869 3.67647
61 2DTJ THR 0.003056 0.41011 3.93258
62 3IHB TRS 0.005443 0.48486 4.14508
63 1GJW GLC 0.001734 0.45046 4.14508
64 3IHB GLU 0.0022 0.44574 4.14508
65 4ME6 ADP 0.001709 0.43697 4.14508
66 1WDA BAG 0.00185 0.4238 4.14508
67 2HNK SAH 0.0001607 0.42305 4.14508
68 1A5Z OXM 0.01001 0.42201 4.14508
69 2R00 OEG 0.007287 0.4219 4.14508
70 1GJW MAL 0.001706 0.41986 4.14508
71 4USQ FAD 0.002801 0.41781 4.14508
72 1Q11 TYE 0.004015 0.4156 4.14508
73 1YOE RIB 0.003064 0.41508 4.14508
74 3BK2 U5P 0.002952 0.40597 4.14508
75 4AMV F6R 0.002401 0.40046 4.14508
76 3GM5 CIT 0.0009313 0.45519 4.40252
77 1SS4 GSH 0.001933 0.49264 4.57516
78 3CBG 4FE 0.003432 0.4613 4.66321
79 3CBG FER 0.002333 0.4606 4.66321
80 1JN2 SFP 0.02969 0.43526 4.66321
81 2VJJ RAM GLC GAL NAG NAG GLC 0.002756 0.43278 4.66321
82 1G8S MET 0.00306 0.43242 4.66321
83 2JBH 5GP 0.001905 0.42329 4.66321
84 1A69 FMB 0.01054 0.41729 4.66321
85 1ZED PNP 0.01035 0.41491 4.66321
86 4M2K PLP 0.003295 0.41382 4.66321
87 1E2S CSN 0.001947 0.40807 4.66321
88 3CH5 GDP 0.003081 0.40527 4.66321
89 1Q3Q ANP 0.01731 0.40452 4.66321
90 2ZJF BSU 0.0054 0.40058 4.66321
91 4FGC PQ0 0.005468 0.41547 4.84848
92 3QDV NDG 0.0003451 0.48254 4.8951
93 3QDW NDG 0.0008572 0.46446 4.8951
94 3QDY CBS 0.00236 0.44434 4.8951
95 1Y1A GSH 0.02813 0.42313 4.91803
96 2ZSC BTN 0.002857 0.40203 4.96454
97 2WCV FUC 0.001808 0.42418 5
98 2ZWS PLM 0.0003333 0.52673 5.18135
99 1DXY COI 0.006504 0.43847 5.18135
100 1I0Z OXM 0.008598 0.43243 5.18135
101 3TKA CTN 0.02218 0.42945 5.18135
102 2VQ5 HBA 0.005124 0.42892 5.18135
103 2OHV NHL 0.001536 0.427 5.18135
104 2JFV FLC 0.005049 0.42282 5.18135
105 1ZUW DGL 0.003308 0.41375 5.18135
106 4M5P 23W 0.01573 0.41262 5.18135
107 2VQ5 LDP 0.02954 0.40561 5.18135
108 4IXW IXW 0.006955 0.4009 5.18135
109 3E81 SLB 0.00502 0.41705 5.4878
110 1BTN I3P 0.0005747 0.52176 5.66038
111 2DWU DGL 0.0002427 0.45885 5.69948
112 3SQG COM 0.005047 0.45259 5.69948
113 1Z42 HBA 0.01608 0.44085 5.69948
114 1Z44 NPO 0.01841 0.43163 5.69948
115 1F1V DHY 0.001497 0.42745 5.69948
116 3IOI 1GW 0.001461 0.42579 5.69948
117 4CCN OGA 0.00763 0.4149 5.69948
118 1O9U ADZ 0.02143 0.41262 5.69948
119 4KCF FMN 0.002129 0.41127 5.69948
120 3CEV ARG 0.003827 0.41124 5.69948
121 2QCX PF1 0.008951 0.40634 5.69948
122 2Q8M AMP 0.002905 0.40623 5.69948
123 3O2K DST 0.006976 0.40572 5.69948
124 1T10 F6P 0.009533 0.40518 5.69948
125 4A6F SEP 0.002957 0.46467 5.83333
126 1C1L GAL BGC 0.002526 0.44298 5.83942
127 4P9Z NMI PTR 02K ASN NH2 0.0008101 0.44417 5.98291
128 1P72 THM 0.001769 0.43024 6.21762
129 2YVF FAD 0.007319 0.42306 6.21762
130 2YVF NAD 0.007603 0.42306 6.21762
131 1XHL NDP 0.002195 0.41924 6.21762
132 1Y8O ADP 0.002551 0.41313 6.21762
133 1O68 KIV 0.005249 0.41081 6.21762
134 1PR9 NAP 0.004013 0.41076 6.21762
135 3I51 45C 0.00224 0.41044 6.21762
136 4HZX G39 0.008831 0.40439 6.21762
137 4W6Z ETF 0.02594 0.40218 6.21762
138 1EJE FMN 0.0001386 0.43106 6.25
139 4K30 NLG 0.002048 0.42762 6.25
140 2D37 NAD 0.002048 0.41478 6.25
141 2D37 FMN 0.00186 0.41478 6.25
142 1MXI SAH 0.0008042 0.40615 6.25
143 1V7R CIT 0.02449 0.41678 6.45161
144 2IYG FMN 0.003989 0.40108 6.45161
145 1ULE GLA GAL NAG 0.006679 0.43041 6.66667
146 2WA4 069 0.0003716 0.43956 6.73575
147 2VAR KDG 0.001126 0.4216 6.73575
148 1H0C AOA 0.01246 0.4112 6.73575
149 2PYU IMP 0.007998 0.40843 6.73575
150 1HQL GLA MBG 0.01554 0.40678 6.73575
151 2XUM OGA 0.01188 0.4064 6.73575
152 3VPQ GSH 0.01132 0.40199 6.73575
153 2OFD NGA 0.0004311 0.46993 7.04225
154 2OFE NAG 0.005054 0.4228 7.04225
155 4WVH ASP HIS ASP ALA HIS ALA 0.0003435 0.45285 7.12946
156 1M1B SPV 0.0008965 0.44888 7.25389
157 1Y7I SAL 0.001962 0.42839 7.25389
158 1NP0 NGT 0.001085 0.45227 7.36842
159 4M51 BEZ 0.000943 0.47091 7.77202
160 3L24 GOA 0.00271 0.45737 7.77202
161 1V6A TRE 0.003693 0.42273 7.77202
162 2DKH FAD 0.002724 0.41703 7.77202
163 1ZFJ IMP 0.006785 0.4126 7.77202
164 4B9E FAH 0.01426 0.4085 7.77202
165 3SCH TB6 0.01274 0.40505 7.77202
166 3O03 GCO 0.03249 0.40353 7.77202
167 3H22 B53 0.0003149 0.44811 8.29016
168 3U1T MLI 0.005952 0.42593 8.29016
169 1E7S NAP 0.003225 0.41304 8.29016
170 2XDQ MGX 0.02219 0.41186 8.29016
171 1KC7 PPR 0.0129 0.41051 8.29016
172 4TMK T5A 0.04805 0.40792 8.29016
173 2Q09 DI6 0.003694 0.41185 8.41346
174 4GYW UDP 0.001069 0.43082 8.80829
175 2IZ1 ATR 0.005763 0.42028 8.80829
176 4HZO COA 0.003494 0.41809 8.80829
177 4IHQ ADP 0.002653 0.41757 8.80829
178 2EB5 OXL 0.00696 0.41666 8.80829
179 2HFK E4H 0.004812 0.41237 8.80829
180 2BO4 FLC 0.01198 0.41198 8.80829
181 1H16 PYR 0.01697 0.41103 8.80829
182 5EQU AKG 0.02084 0.40676 8.80829
183 3T2W BTN 0.001958 0.41756 9.01639
184 1NU4 MLA 0.009533 0.4473 9.27835
185 1T0S BML 0.004344 0.43932 9.30233
186 1Y75 NAG 0.003396 0.4133 9.32203
187 3I0O ADP 0.0005694 0.43821 9.32642
188 1TDF NAP 0.004453 0.43765 9.32642
189 1RZM E4P 0.003617 0.43585 9.32642
190 1TDF FAD 0.005882 0.41769 9.32642
191 3A1I UNU 0.004539 0.40349 9.32642
192 1KTC NGA 0.008007 0.40326 9.32642
193 1EYE PMM 0.0001931 0.45017 9.84456
194 2BGM NAJ 0.002853 0.43741 9.84456
195 1SQ5 PAU 0.004981 0.41175 9.84456
196 1RYD GLC 0.002916 0.43334 10.3627
197 2CE7 ADP 0.0009459 0.41942 10.3627
198 1PEA ACM 0.003449 0.44409 10.8808
199 1QO0 BMD 0.001804 0.44254 10.8808
200 4CIB 7UZ 0.00356 0.42341 10.8808
201 1SOW OXL 0.01815 0.41623 10.8808
202 4KCT FDP 0.001613 0.41577 10.8808
203 3NFZ 3NF 0.00401 0.401 10.8808
204 1H8P PC 0.0001454 0.52042 11.0092
205 3BY8 MLT 0.007368 0.42168 11.2676
206 1S8F GDP 0.002327 0.40526 11.2994
207 3NKS ACJ 0.0005787 0.4222 11.399
208 3I7S PYR 0.0148 0.41389 11.399
209 3QV9 QV7 0.006169 0.41324 11.399
210 1OMZ UD2 0.00852 0.40876 11.399
211 3PLN U5P 0.008021 0.40323 11.399
212 1JGS SAL 0.02249 0.42684 12.3188
213 1XX4 BAM 0.00008181 0.53281 12.4352
214 1C3V PDC 0.0007984 0.45102 12.4352
215 4RJK PYR 0.003672 0.4428 12.4352
216 3UH0 TSB 0.00208 0.40813 12.4352
217 1FIQ SAL 0.004521 0.40759 12.4352
218 1FIQ FAD 0.005259 0.40756 12.4352
219 1FIQ MTE 0.00462 0.40467 12.4352
220 3S9K CIT 0.003713 0.47857 12.7119
221 4O8A 2OP 0.002766 0.45693 12.9534
222 3UEC ALA ARG TPO LYS 0.0101 0.41539 13.0137
223 2BOI MFU 0.002225 0.42615 13.2743
224 2Q3M MLA 0.01575 0.41931 13.4715
225 4G1V FAD 0.000677 0.48271 13.9896
226 3ZRR PXG 0.0005321 0.40562 15.0259
227 1X54 4AD 0.001465 0.41525 15.544
228 2W8Q SIN 0.01493 0.40758 15.544
229 3MAG 3MA 0.0002446 0.52085 17.0984
230 3MCT 3MC 0.004087 0.41528 17.0984
231 3EW2 BTN 0.006627 0.40174 17.7778
232 1WHT BZS 0.003201 0.43155 18.3007
233 2GDZ NAD 0.0008485 0.4317 18.6528
234 1V5F FAD 0.03795 0.42052 19.171
235 1V5F TPP 0.03795 0.42052 19.171
236 2Z9C DTC 0.00000007472 0.47838 20.2073
237 1SC3 MLI 0.008603 0.42516 20.4545
238 2C31 ADP 0.02907 0.40385 20.7254
239 3UDG TMP 0.01105 0.42699 22.7979
240 1R27 MGD 0.001902 0.42651 26.943
Feedback