Structure of PDB 7z0s Chain D Binding Site BS01

Receptor Information
>7z0s Chain D (length=306) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVLYPLIQALVLFAVAPLLSGITRVARARLHNRRGPGVLQEYRDIIKLLG
RQSVGPDASGWVFRLTPYVMVGVMLTIATALPVVTVGSPLPQLGDLITLL
YLFAIARFFFAISGLDTGSPFTAIGASREAMLGVLVEPMLLLGLWVAAQV
AGSTNISNITDTVYHWPLSQSIPLVLALCACAFATFIEMGKLPFDLAEAE
QELQEGPLSEYSGSGFGVMKWGISLKQLVVLQMFVGVFIPWGQMETFTAG
GLLLALVIAIVKLVVGVLVIALFENSMARLRLDITPRITWAGFGFAFLAF
VSLLAA
Ligand information
Ligand IDDR9
InChIInChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1
InChIKeyQGIXWNRQEFVVRM-CTDKCSBDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC\C=C/CCCCCC
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC
FormulaC40 H75 O10 P
Name1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL;
(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE
ChEMBL
DrugBankDB04683
ZINCZINC000053683609
PDB chain7z0s Chain E Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7z0s Structure of the membrane-bound formate hydrogenlyase complex from Escherichia coli.
Resolution2.6 Å
Binding residue
(original residue number in PDB)
F187 F235 K263 G267 F274
Binding residue
(residue number reindexed from 1)
F186 F234 K262 G266 F273
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0006007 glucose catabolic process
GO:0009061 anaerobic respiration
GO:0015944 formate oxidation
GO:0019645 anaerobic electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0009326 formate dehydrogenase complex
GO:0016020 membrane

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:7z0s, PDBe:7z0s, PDBj:7z0s
PDBsum7z0s
PubMed36104349
UniProtP16430|HYCD_ECOLI Formate hydrogenlyase subunit 4 (Gene Name=hycD)

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