Structure of PDB 7s6c Chain B Binding Site BS01

Receptor Information
>7s6c Chain B (length=891) Species: 1836,324833 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTDSEKVAEYLRRATLDLRAARQRIRELESEPIAIIGMACRLPGGVDSPE
GLWELVDSGTDAIAGFPLDRGWDVEGMYDPDAEAPGKTYVKEAGFLYDAG
EFDAGFFGISPREAVSMDPQQRLMLEASWEAFERAGLDPARQRGTATGVF
VGATATGYVGFAITGNMTAVTSGRISYTLGLQGPAVTIDTACSSSLVALH
LACQSLRQGECTTALAGGVTVMPTPTAFTEFSRQRGLAPDGRCKSFAAAA
DGTNWAEGVAVLVVERLSDARRNGHRVLAVVRGTAINQDGASNGLSAPND
LAQERVIRSALDNAGLTASDVDAVEAHGTGTTLGDPIEAQALLAAYGHER
PAHRPLRVGSLKSNIGHAGPAAGVAGVIKMVMAMRHGVLPRSLHIDEPTP
QVDWSSGAVTLLTEPVDWPDSDRPRRAGVSAFGISGTNAHVILEQAPTQA
PPVPAAPWLLSAKTPAALRAQARRLHTHLARHPHPDPTDIAHALATTRTP
HEHRAALVTDDHGTRGPALAALAEGAPDACLISGTALSKGRTVFVFPGQG
SQWTGMGRELLHTSPEFAAYIAECETALNDFVDWSLTDVLRGTEGAPGYD
RVDVVQPALFAVMVSLARLWQHHGIHPDAVIGHSQGEIAAAHIAGALSLQ
DAARIVALRSQALLPLAGLGGMTSLALPHDQALQLIQPWGQDLSIASVNG
PHSTVVSGTTHALDELHTTCDTQGVRARRIPVDYASHSAQVESIRDTVLQ
AATGINPQPTTIPLYSTVTGQPIDGTQLDADYWYTNLRHTVRFEETTRAL
LGSGHRHFIETTAHPVLALALEETIEATGSDARVTGTLRRDHGDLTQLHT
ALATAWTHGIDVDWTAVLGDRRTPFELPTYAFQRQRYWLEP
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain7s6c Chain D Residue 1701 [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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PDB7s6c Modular polyketide synthase contains two reaction chambers that operate asynchronously.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		C210 S314 F450 I452
Binding residue
(residue number reindexed from 1)		C192 S296 F432 I434
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.94: 6-deoxyerythronolide-B synthase.
Gene Ontology
Molecular Function
GO:0004312 fatty acid synthase activity
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0031177 phosphopantetheine binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0033068 macrolide biosynthetic process
GO:0071770 DIM/DIP cell wall layer assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7s6c, PDBe:7s6c, PDBj:7s6c
PDBsum7s6c
PubMed34735234
UniProtB6ZK67;
Q03132|ERYA2_SACER 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4 (Gene Name=eryA)

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