Receptor
PDB id Resolution Class Description Source Keywords
4N82 1.88 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF STREPTOCOCCUS SANGUINIS NRDIOX STREPTOCOCCUS SANGUINIS FLAVOPROTEIN RIBONUCLEOTIDE REDUCTASE OXIDATION-REDUCTIONMONONUCLEOTIDE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS SANGUINIS CLASS IB RIBONUCLEOTIDE RED HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTOR STRUCTURAL INSIGHTS. J.BIOL.CHEM. V. 289 6259 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 B:202;
A:202;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N82 1.88 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF STREPTOCOCCUS SANGUINIS NRDIOX STREPTOCOCCUS SANGUINIS FLAVOPROTEIN RIBONUCLEOTIDE REDUCTASE OXIDATION-REDUCTIONMONONUCLEOTIDE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS SANGUINIS CLASS IB RIBONUCLEOTIDE RED HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTOR STRUCTURAL INSIGHTS. J.BIOL.CHEM. V. 289 6259 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4N82 - 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 247 families.
1 4N82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4N82 - 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 : 4N82; Ligand: FMN; Similar sites found: 88
This union binding pocket(no: 1) in the query (biounit: 4n82.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3B5J 12D 0.004755 0.43534 1.23457
2 4ZOM 4Q3 0.02153 0.42585 2.24719
3 2J5V PCA 0.03476 0.4055 2.24719
4 1Q8Q MAN MMA 0.02293 0.40275 2.24719
5 1Q8S MAN MMA 0.02408 0.4015 2.24719
6 1CZR FMN 0.0000000004639 0.71851 2.36686
7 3RC3 ANP 0.009588 0.41523 2.80899
8 4Z3E GAL NGA GLA BGC GAL 0.01482 0.41066 2.80899
9 2XT3 ADP 0.02363 0.40236 2.80899
10 4OWK NGA 0.003108 0.42331 2.89855
11 2BES RES 0.009402 0.40712 2.90698
12 5F90 GLA GAL BGC 5VQ 0.01914 0.41194 3.20513
13 4UAP NGA 0.02247 0.40227 3.28947
14 2OG2 MLI 0.007804 0.44557 3.37079
15 3B9Q MLI 0.01611 0.4252 3.37079
16 3IX1 NFM 0.01145 0.416 3.37079
17 2AWN ADP 0.0177 0.41517 3.37079
18 3L6C MLI 0.01298 0.41316 3.37079
19 4X1B MLI 0.02654 0.40786 3.37079
20 1LJ8 NAD 0.01088 0.40036 3.37079
21 4OXX FMN 0.00000002915 0.62177 3.7037
22 1D1Q 4NP 0.003622 0.44516 3.72671
23 1JJ7 ADP 0.00542 0.43627 3.84615
24 2F5X ASP 0.009041 0.42121 3.93258
25 2CBZ ATP 0.02413 0.40916 3.93258
26 5IXJ THR 0.0119 0.40854 3.93258
27 2FCR FMN 0.00000000002721 0.7532 4.04624
28 3QDT A2G GAL 0.01417 0.41664 4.1958
29 3QDW NDG 0.01353 0.41097 4.1958
30 3QDU CBS CBS 0.02003 0.40452 4.1958
31 4H2D FMN 0.0000002726 0.58172 4.24242
32 4C0X FMN 0.0002063 0.48486 4.49438
33 4C0X AQN 0.000339 0.48141 4.49438
34 4PPF FLC 0.00223 0.45596 4.49438
35 2OYS FMN 0.00348 0.42075 4.49438
36 2DVZ GLU 0.01548 0.40081 4.49438
37 5TME UDP 0.01373 0.40333 4.71092
38 1TLL FMN 0.000000437 0.59928 5.05618
39 4PTZ FMN 0.0004173 0.45507 5.05618
40 3LRE ADP 0.01321 0.41759 5.05618
41 4YMU ATP 0.014 0.4071 5.05618
42 3VPB GLU 0.02495 0.4018 5.05618
43 4N65 AQN 0.004667 0.42168 5.61798
44 4N65 FMN 0.007925 0.41542 5.61798
45 3QH2 3NM 0.008862 0.42165 6.17978
46 1P7T PYR 0.0204 0.41269 6.17978
47 4WZ6 ATP 0.01702 0.40986 6.17978
48 1GOJ ADP 0.01875 0.40899 6.17978
49 2W58 ADP 0.02911 0.4055 6.17978
50 2Z49 AMG 0.01588 0.40371 6.74157
51 3GFS FMN 0.0002638 0.47971 6.89655
52 1I9G SAM 0.008428 0.40365 7.30337
53 4IP7 FBP 0.002035 0.42923 7.86517
54 1FIQ FAD 0.02144 0.40118 8.42697
55 1RYO OXL 0.01538 0.41888 8.98876
56 2Q9U FMN 0.000217 0.45972 9.55056
57 5E5U MLI 0.001512 0.42702 10.1124
58 16PK BIS 0.02782 0.4025 10.1124
59 1X9I G6Q 0.01203 0.40209 10.1124
60 1T57 FMN 0.002719 0.42732 11.236
61 2WC1 FMN 0.0000000001922 0.71143 11.7978
62 1G8S MET 0.003081 0.44967 11.7978
63 1J0D 5PA 0.00151 0.44551 11.7978
64 2UUU PL3 0.03837 0.40403 12.3596
65 2UUU FAD 0.03837 0.40403 12.3596
66 2Z9C FMN 0.0001705 0.47672 12.9213
67 1AKV FMN 0.0000000009137 0.62418 13.6054
68 1G6H ADP 0.003365 0.44945 14.6067
69 3HQP FDP 0.000371 0.42765 15.1685
70 4LTN FMN 0.0002756 0.44781 16.2437
71 4LTN NAI 0.0002911 0.4337 16.2437
72 5FA6 NAP 0.00000499 0.61178 16.2921
73 5FA6 FAD 0.000004804 0.61178 16.2921
74 5FA6 FMN 0.000004804 0.61178 16.2921
75 4KCT FDP 0.0004162 0.47046 16.2921
76 1AG9 FMN 0.0000000005344 0.71581 17.1429
77 5NUL FMN 0.0000003324 0.59011 17.3913
78 1T5B FMN 0.0005688 0.45147 17.4157
79 1B1C FMN 0.0000002963 0.5804 17.9775
80 1BVY FMN 0.00000004417 0.58877 18.5393
81 4B2D FBP 0.002371 0.41686 18.5393
82 1OBV FMN 0.0000000003459 0.68474 23.0769
83 5GXU FMN 0.0000002425 0.59929 24.1573
84 3QFS FAD 0.02667 0.40067 26.4045
85 3QFS NAP 0.02667 0.40067 26.4045
86 3FJO FMN 0.000000002913 0.68709 30.3371
87 5LJI FMN 0.0000000002131 0.74034 34.4595
88 1RLJ FMN 0.000000000005843 0.79732 45.3237
Pocket No.: 2; Query (leader) PDB : 4N82; Ligand: FMN; Similar sites found: 7
This union binding pocket(no: 2) in the query (biounit: 4n82.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NCD ADP 0.02008 0.40564 3.37079
2 4Q3F TLA 0.01774 0.40265 4.2735
3 2GDJ ANP 0.01428 0.4025 7.30337
4 4UP4 NAG 0.007611 0.42873 7.73067
5 4UP4 NDG 0.007611 0.42873 7.73067
6 3RGQ 5P5 0.02337 0.4009 9.61539
7 3KO0 TFP 0.02663 0.40154 27.7228
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