Structure of PDB 7zdf Chain D Binding Site BS01

Receptor Information
>7zdf Chain D (length=586) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSRQKELTRWLKQQSVISQRWLNISRLLGFVSGILIIAQAWFMARILQHM
IMENIPREALLLPFTLLVLTFVLRAWVVWLRERVGYHAGQHIRFAIRRQV
LDRLQQAGPAWIQGKPAGSWATLVLEQIDDMHDYYARYLPQMALAVSVPL
LIVVAIFPSNWAAALILLGTAPLIPLFMALVGMGAADANRRNFLALARLS
GHFLDRLRGMETLRIFGRGEAEIESIRSASEDFRQRTMEVLRLAFLSSGI
LEFFTSLSIALVAVYFGFSYLGELDFGHYDTGVTLAAGFLALILAPEFFQ
PLRDLGTFYHAKAQAVGAADSLKTFMETPLAHPQRGEAELASTDPVTIEA
EELFITSPEGKTLAGPLNFTLPAGQRAVLVGRSGSGKSSLLNALSGFLSY
QGSLRINGIELRDLSPESWRKHLSWVGQNPQLPAATLRDNVLLARPDASE
QELQAALDNAWVSEFLPLLPQGVDTPVGDQAARLSVGQAQRVAVARALLN
PCSLLLLDEPAASLDAHSEQRVMEALNAASLRQTTLMVTHQLEDLADWDV
IWVMQDGRIIEQGRYAELSVAGGPFATLLAHRQEEI
Ligand information
Ligand IDISW
InChIInChI=1S/C34H36N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13,15-16,29H,1-2,9-12,14H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/t29-;/m0./s1
InChIKeyQSWMAEGFLATCMU-JMAPEOGHSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C
CACTVS 3.370CC1=C(CCC(O)=O)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)[CH]6Cc8n5c(C=C13)c(C=C)c8C)C
CACTVS 3.370CC1=C(CCC(O)=O)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)[C@@H]6Cc8n5c(C=C13)c(C=C)c8C)C
ACDLabs 12.01O=C(O)CCC3=C(C4=Cc1n6c(c(c1\C=C)C)CC2N5=C(C(=C2\C=C)C)C=C7C(=C(C8=CC3=N4[Fe]56N78)CCC(=O)O)C)C
OpenEye OEToolkits 1.7.2Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe@@]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7C2)C=C)C)CCC(=O)O)C
FormulaC34 H34 Fe N4 O4
Name{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron;
Isoporphyrin containing Fe
ChEMBL
DrugBank
ZINC
PDB chain7zdf Chain D Residue 601 [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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PDB7zdf IF(heme/confined) conformation of CydDC in AMP-PNP(CydD) bound state (Dataset-4)
Resolution2.94 Å
Binding residue
(original residue number in PDB)		N191 F195 F247 S250 G308 T309 Y311 H312
Binding residue
(residue number reindexed from 1)		N189 F193 F245 S248 G306 T307 Y309 H310
Annotation score1
Enzymatic activity
Enzyme Commision number 7.4.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015439 ABC-type heme transporter activity
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006865 amino acid transport
GO:0006869 lipid transport
GO:0033228 cysteine export across plasma membrane
GO:0034775 glutathione transmembrane transport
GO:0035351 heme transmembrane transport
GO:0042883 cysteine transport
GO:0045454 cell redox homeostasis
GO:0055085 transmembrane transport
GO:1903605 cytochrome biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055051 ATP-binding cassette (ABC) transporter complex, integrated substrate binding

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zdf, PDBe:7zdf, PDBj:7zdf
PDBsum7zdf
PubMed37095238
UniProtP29018|CYDD_ECOLI Glutathione/L-cysteine transport system ATP-binding/permease protein CydD (Gene Name=cydD)

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