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Receptor Information

>4zoh Chain B (length=274) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MYPPKFGYVIPDNLNEALEFLEEHQDARPLAGGHSLIPMLKLRLIRPSYI
VEIRRFSNLSYITKDGNLYKIGALTTHYNISKSSIPLLSETASNIGDPQV
RNMGTIGGSISHLDPSADYPAALIAMDAKVKITSRKGDRVVNFKSFAKDM
FTPDLNPGELVTEIQVPTFEGYKFSYQKLERRAGDFAIVGVALLLKLSGD
VIEDVRIGLTAVNNVAVRAKGAEEELLGKRLNDEIIEKAATRAMESANPT
SGSAEYKKKMVKVLTKRAIITALK

Ligand ID

FAD

InChI

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey

VWWQXMAJTJZDQX-UYBVJOGSSA-N

SMILES

Software	SMILES
CACTVS 3.341	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04	O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C

Formula

C27 H33 N9 O15 P2

Name

FLAVIN-ADENINE DINUCLEOTIDE

PDB chain

4zoh Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4zoh Archaeal Mo-Containing Glyceraldehyde Oxidoreductase Isozymes Exhibit Diverse Substrate Specificities through Unique Subunit Assemblies.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	R28 P29 A31 G32 G33 H34 S35 L36 H77 I95 G96 V100 T105 G108 S109 S111 A117 D118 L160 V161 D185 F186
Binding residue (residue number reindexed from 1)	R28 P29 A31 G32 G33 H34 S35 L36 H77 I95 G96 V100 T105 G108 S109 S111 A117 D118 L160 V161 D185 F186
Annotation score	4

Catalytic site (original residue number in PDB)	Y259
Catalytic site (residue number reindexed from 1)	Y256
Enzyme Commision number	?

	Molecular Function
GO:0000166	nucleotide binding
GO:0016491	oxidoreductase activity
GO:0050660	flavin adenine dinucleotide binding
GO:0071949	FAD binding

PDB	RCSB:4zoh, PDBe:4zoh, PDBj:4zoh
PDBsum	4zoh
PubMed	26808202
UniProt	Q974U9

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Structure of PDB 4zoh Chain B Binding Site BS01