BioLiP

Receptor Information

>8u7y Chain A (length=603) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

WLRWVTQQFKTIEISLQEFKAALHSFFAERFFALFRSGTITLQELQEALT
SPMDKLKFLFQVYDIDDPDELRTVLQSCLRESAISLPDEKLDQLTLALFE
SADAGAITFEELRDELQRFVMENLTISAAHWTRAYWHNHRSQLFCLATYA
GLHVLLFGLAASAHRDLGASVMVAKGCGQCLNFDCSFIAVLMLRRCLTWL
RATWLAQVLPLDQNIQFHQLMGYVVVGLSLVHTVAHTVNFVLQAQGSASP
TGVALLLLLLLMFICSSSCIRRSGHFEVFYWTHLSYLLVWLLLIFHGPNF
WKWLLVPGILFFLEKAIGLAVSRMAAVCIMEVNLLPSKVTHLLIKRPPFF
HYRPGDYLYLNIPTIARYEWHPFTISSAPEQKDTIWLHIRSQGQWTNRLY
ESFKACNIKCYIDGPYGTPTRRIFASEHAVLIGAGIGITPFASILQSIMY
RHQKRKHTCPSCQHSWIEGVQDNMKLHKVDFIWINRDQRSFEWFVSLLTK
LEMDQAEEAQYGRFLELHMYMTSALKAIGLQMALDLLANKEKKDSITGLQ
TRTQPGRPDWSKVFQKVEKKGKVQVFFCGSPALAKVLKGHCEKFGFRFFQ
ENF

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

8u7y Chain A Residue 801 [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	8u7y Structural Basis of Human NOX5 Activation
Resolution	4.06 Å
Binding residue (original residue number in PDB)	I265 R344 H444 P445 T447 R463 Q465 G466
Binding residue (residue number reindexed from 1)	I215 R271 H371 P372 T374 R390 Q392 G393
Annotation score	2

Enzyme Commision number

1.6.3.-

	Molecular Function
GO:0005509	calcium ion binding
GO:0015252	proton channel activity
GO:0016175	superoxide-generating NAD(P)H oxidase activity
GO:0016491	oxidoreductase activity
GO:0020037	heme binding
GO:0046872	metal ion binding
GO:0050660	flavin adenine dinucleotide binding
GO:0050661	NADP binding
GO:0050664	oxidoreductase activity, acting on NAD(P)H, oxygen as acceptor
GO:0106292	superoxide-generating NADPH oxidase activity

	Biological Process
GO:0001525	angiogenesis
GO:0001819	positive regulation of cytokine production
GO:0001935	endothelial cell proliferation
GO:0006915	apoptotic process
GO:0006952	defense response
GO:0034220	monoatomic ion transmembrane transport
GO:0042554	superoxide anion generation
GO:0043012	regulation of fusion of sperm to egg plasma membrane
GO:0061640	cytoskeleton-dependent cytokinesis
GO:1902600	proton transmembrane transport

	Cellular Component
GO:0005783	endoplasmic reticulum
GO:0005789	endoplasmic reticulum membrane
GO:0005886	plasma membrane
GO:0043020	NADPH oxidase complex

PDB	RCSB:8u7y, PDBe:8u7y, PDBj:8u7y
PDBsum	8u7y
PubMed
UniProt	Q96PH1\|NOX5_HUMAN NADPH oxidase 5 (Gene Name=NOX5)

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Structure of PDB 8u7y Chain A Binding Site BS01