Structure of PDB 6n04 Chain A Binding Site BS01

Receptor Information
>6n04 Chain A (length=365) Species: 1676287 (Streptomyces sp. LC-6-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APRIAVVGGGLGGLALAGMLHRQGIAATVYERDAGRAARTQGGTLDLRPE
SGQRALDELGLTEAFRGEELRILDPAGRTLVHRVPEIDRGALRELLLSKV
PDEAVSWGRRLTGVEELPDGGHRLEFADGGHADCDILVGADGARSRVRLL
LTDARPVHLSAYLQLAITDADRRRPRIAEFVGPGSLMALGDNLNLGAQRS
GDGTIRVSVTTRVDADWVDRQGFGDAEWGDVVARLHELFAGWDAGLTSLI
DACDPGSLVGRNIEALPVGTRWPSRPDVTLLGDAAHLMPPVGEGANQAML
DGVLLARAFAQHRDDPAAAIAAYETEMFDRAAVIGAKSARIESMGLAPDA
AERLASYFNRMTAAS
Ligand information
Ligand IDFAD
InChIInChI=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
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=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 1.5.0Cc1cc2c(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 1.5.0Cc1cc2c(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 3.341Cc1cc2N=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 10.04O=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
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain6n04 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6n04 The crystal structure of AbsH3: A putative flavin adenine dinucleotide-dependent reductase in the abyssomicin biosynthesis pathway.
Resolution1.998 Å
Binding residue
(original residue number in PDB)		G16 G18 G20 E39 R40 R47 L53 R132 L133 D163 G304 D305 P312 E315 G316 A317 N318 A320
Binding residue
(residue number reindexed from 1)		G8 G10 G12 E31 R32 R39 L45 R110 L111 D141 G282 D283 P290 E293 G294 A295 N296 A298
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T190 D191 M321 M366 D371 A372
Catalytic site (residue number reindexed from 1) T168 D169 M299 M344 D349 A350
Enzyme Commision number 1.14.13.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
GO:0071949 FAD binding
Biological Process
GO:0046677 response to antibiotic
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6n04, PDBe:6n04, PDBj:6n04
PDBsum6n04
PubMed32852843
UniProtA0A1V0QH64

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