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Receptor Information

>6fyg Chain B (length=460) Species: 115828 (Streptomyces maritimus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QFPQLDPATLAAFSAAFRGELIWPSDADYDEARRIWNGTIDRRPALIARC
TSTPDVVAAVSFARKSGLLVAVRGGGHSMAGHSVCDGGIVIDLSLMNSIK
VSRRLRRARAQGGCLLGAFDTATQAHMLATPAGTVSHTGLGGLVLGGGFG
WLSRKYGLSIDNLTSVEIVTADGGVLTASDTENPDLFWAVRGGGGNFGVV
TAFEFDLHRVGPVRFASTYYSLDEGPQVIRAWRDHMATAPDELTWALYLR
LAPPLPELPADMHGKPVICAMSCWIGDPHEGERQLESILHAGKPHGLTKA
TLPYRALQAYSFPGAVVPDRIYTKSGYLNELSDEATDTVLEHAADIASPF
TQLELLYLGGAVARVPDDATAYPNRQSPFVTNLAAAWMDPTEDARHTAWA
REGYRALAGHLSGGYVNFMNPGEADRTREAYGAAKFERLQGVKAKYDPTN
LFRLNQNIPP

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

6fyg Chain B Residue 501 [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	6fyg Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Resolution	2.55 Å
Binding residue (original residue number in PDB)	W37 V73 G75 G76 G77 H78 S79 S84 L94 G134 T135 G140 G142 G143 L144 L146 F150 V200 V201 Y416 N418 N456
Binding residue (residue number reindexed from 1)	W36 V72 G74 G75 G76 H77 S78 S83 L93 G133 T134 G139 G141 G142 L143 L145 F149 V199 V200 Y415 N417 N455
Annotation score	4

Catalytic site (original residue number in PDB)	H78 S137 T245
Catalytic site (residue number reindexed from 1)	H77 S136 T244
Enzyme Commision number	?

	Molecular Function
GO:0016491	oxidoreductase activity
GO:0042802	identical protein binding
GO:0050660	flavin adenine dinucleotide binding
GO:0071949	FAD binding

PDB	RCSB:6fyg, PDBe:6fyg, PDBj:6fyg
PDBsum	6fyg
PubMed	29686059
UniProt	Q9KHK2

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Structure of PDB 6fyg Chain B Binding Site BS01