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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 318 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 280 families.
1 4N82 - 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 1039 families.
1 6EBQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4N82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 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 with APoc: 170
This union binding pocket(no: 1) in the query (biounit: 4n82.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4JLS 3ZE None
2 3IWD M2T None
3 2VT3 ATP None
4 4RHS SIA SIA GAL 0.819672
5 3B5J 12D 1.23457
6 1V6A TRE 1.68539
7 2J5V PCA 2.24719
8 6AM8 PLT 2.24719
9 6AM8 TRP 2.24719
10 6CUZ FEV 2.24719
11 1Q8Q MAN MMA 2.24719
12 1Q8S MAN MMA 2.24719
13 6AMI TRP 2.27273
14 1CZR FMN 2.36686
15 4PYA 2X3 2.48447
16 3RC3 ANP 2.80899
17 4Z3E GAL NGA GLA BGC GAL 2.80899
18 3AB4 THR 2.80899
19 2XT3 ADP 2.80899
20 4FRZ ADP 2.80899
21 3LN9 FLC 2.8777
22 4OWK NGA 2.89855
23 2BES RES 2.90698
24 5F90 GLA GAL BGC 5VQ 3.20513
25 4UAP NGA 3.28947
26 4YQE FMN 3.37079
27 4YQE PLQ 3.37079
28 2OG2 MLI 3.37079
29 5MJI 7O6 3.37079
30 4U00 ADP 3.37079
31 3B9Q MLI 3.37079
32 3IX1 NFM 3.37079
33 2AWN ADP 3.37079
34 3DC4 ADP 3.37079
35 3L6C MLI 3.37079
36 3L6R MLI 3.37079
37 4X1B MLI 3.37079
38 3SVL FMN 3.37079
39 1LVK MNT BEF 3.37079
40 1LJ8 NAD 3.37079
41 4OXX FMN 3.7037
42 1D1Q 4NP 3.72671
43 1JJ7 ADP 3.84615
44 1BG2 ADP 3.93258
45 2KIN ADP 3.93258
46 2F5X ASP 3.93258
47 1XX6 ADP 3.93258
48 4HE2 AMP 3.93258
49 5A04 BGC 3.93258
50 2CBZ ATP 3.93258
51 2FCR FMN 4.04624
52 3QDT A2G GAL 4.1958
53 3QDY CBS 4.1958
54 3QDW NDG 4.1958
55 3QDV NDG 4.1958
56 3QDX CBS 4.1958
57 3QDU CBS CBS 4.1958
58 4H2D FMN 4.24242
59 4C0X FMN 4.49438
60 4C0X AQN 4.49438
61 4PPF FLC 4.49438
62 1CX9 NHP 4.49438
63 2OYS FMN 4.49438
64 4D9C PMP 4.49438
65 4D5G FAD 4.49438
66 4D5G TPP 4.49438
67 2DVZ GLU 4.49438
68 2B3D FAD 4.90196
69 1TLL FMN 5.05618
70 4PTZ FMN 5.05618
71 5HV7 RBL 5.05618
72 1JH7 UVC 5.05618
73 4DDY DN6 5.05618
74 1F20 NAP 5.05618
75 2VVG ADP 5.05618
76 3LRE ADP 5.05618
77 4YMU ATP 5.05618
78 3VPB GLU 5.05618
79 2NV2 GLN 5.05618
80 1U0J ADP 5.61798
81 4N65 AQN 5.61798
82 1BZL GCG 5.61798
83 1BZL FAD 5.61798
84 4N65 FMN 5.61798
85 2J0W ASP 5.61798
86 5L13 6ZE 5.61798
87 1DCP HBI 5.76923
88 4WZ6 ATP 6.17978
89 3QH2 3NM 6.17978
90 1P7T PYR 6.17978
91 6A20 ADP 6.17978
92 1GOJ ADP 6.17978
93 2W58 ADP 6.17978
94 3SBZ MLI 6.74157
95 1T5C ADP 6.74157
96 1VB3 KPA 6.74157
97 2Z49 AMG 6.74157
98 5WXU FLC 6.74157
99 3GFS FMN 6.89655
100 2PZE ATP 7.30337
101 1I9G SAM 7.30337
102 5WBF LAC 7.30337
103 4EI7 GDP 7.30337
104 1Q1R FAD 7.30337
105 3ZZQ TRP 7.69231
106 5WS9 AMP 7.86517
107 4IP7 FBP 7.86517
108 4YJ1 ADP 7.86517
109 2W5P CL8 8.05369
110 1FIQ FAD 8.42697
111 5ZA2 NXL 8.42697
112 1RYO OXL 8.98876
113 6GAQ FMN 9.09091
114 3NRZ FAD 9.14634
115 6BYF CIT 9.41177
116 2D2F ADP 9.55056
117 2Q9U FMN 9.55056
118 3QPB URA 9.55056
119 1KNM LAT 10
120 5E5U MLI 10.1124
121 4XJ7 ADN 10.1124
122 2Y65 ADP 10.1124
123 16PK BIS 10.1124
124 1X9I G6Q 10.1124
125 4RSL FAD 10.6742
126 4GYS MLI 10.6742
127 1T57 FMN 11.236
128 1YQT ADP 11.236
129 2WC1 FMN 11.7978
130 1G8S MET 11.7978
131 1J0D 5PA 11.7978
132 4CP8 MLI 11.7978
133 5YV5 ADP 11.7978
134 3H4S ADP 11.8519
135 4WOH 4NP 12.0482
136 2UUU FAD 12.3596
137 2UUU PL3 12.3596
138 2Z9C FMN 12.9213
139 2Z9C DTC 12.9213
140 6GNF GLC 12.9213
141 1RRC ADP 13.4831
142 1AKV FMN 13.6054
143 1G6H ADP 14.6067
144 3ITJ CIT 14.6067
145 3HQP FDP 15.1685
146 4LTN FMN 16.2437
147 4LTN NAI 16.2437
148 5FA6 FMN 16.2921
149 5FA6 NAP 16.2921
150 5FA6 FAD 16.2921
151 4KCT FDP 16.2921
152 6HKE LMR 16.2921
153 6HKE MLT 16.2921
154 1AG9 FMN 17.1429
155 5NUL FMN 17.3913
156 1T5B FMN 17.4157
157 1B1C FMN 17.9775
158 4KFU ACP 17.9775
159 6FSG FMN 18.3673
160 1BVY FMN 18.5393
161 4B2D FBP 18.5393
162 1OBV FMN 23.0769
163 5GXU FMN 24.1573
164 3QFS FAD 26.4045
165 3QFS NAP 26.4045
166 2QQC AG2 26.7857
167 5VEG FMN 29.2135
168 3FJO FMN 30.3371
169 5LJI FMN 34.4595
170 1RLJ FMN 45.3237
Pocket No.: 2; Query (leader) PDB : 4N82; Ligand: FMN; Similar sites found with APoc: 17
This union binding pocket(no: 2) in the query (biounit: 4n82.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3GD8 GOL None
2 2NCD ADP 3.37079
3 1KOR ANP 3.37079
4 2VVL FAD 3.37079
5 3THR C2F 3.93258
6 1BO4 COA 5.35714
7 2GDJ ANP 7.30337
8 4UP4 NAG 7.73067
9 4UP4 NDG 7.73067
10 3MB5 SAM 7.86517
11 2UYN 2KT 8.52713
12 3COB ADP 9.55056
13 3RGQ 5P5 9.61539
14 3GUZ PAF 13.6364
15 3HP9 CF1 18.5393
16 4LZB URA 24.7191
17 3KO0 TFP 27.7228
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