Structure of PDB 6zmq Chain A Binding Site BS01

Receptor Information
>6zmq Chain A (length=589) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGAENLYFQSMTPALLGNLGVSLALAFSLLGLGLALLAYLQGDGRFLRGA
RALVFPAFLAALAAFLALEWALLVHDFSLAYVARNHSTKDPLWVTLVTPW
AALEGSILLWGLLQTLYTLLASRKPLDPWRASLVLAVLFGIQVFFFGVMA
TIASPFETLQNHWMMAVHPVLMYLGFVGLSVPYAYAVAAMATRRYQTWVE
ETRWWTLIAWGFLTAGKVAGMWWSYEVLGWGGYWAWDPVENASFIPWLLA
TAFLHTAFVQQTRGAFKTWNFAFVTLAFAATLLGTFLTRSGPVGPAFLGF
FLFATGLGLGLLSRVHPLSREGALLLGAFFFAGWALVVVLGTFYPLLVEG
APFFNQVSAPLGAGILLLMGVGPLLPWRRARGEVLRNLLVLLLALALGTL
FGLLRGYTLGASFALGLFLYNAAAIYLLAREGVLARWGFLANRRRVGSLV
VHFAVALMGLAIAFSQTYRLESEKTLYRGEAWEVGGVRMTFQGVRALDEG
RRFAVEALLKTDRFGEVRPRLHFYPQMNSPLPAPKVIYTPGNDYYFLLMD
FDREKGEWASLRLIVTPLVFWMWVAGGLMALGTLYILWP
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain6zmq Chain A Residue 701 [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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PDB6zmq Architecture of the membrane-bound cytochrome c heme lyase CcmF.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		R207 L211 W214 H259 F262 L349 F356 L402 M403 R485 R486 S489 V492 H493 V496
Binding residue
(residue number reindexed from 1)		R203 L207 W210 H255 F258 L324 F331 L368 M369 R444 R445 S448 V451 H452 V455
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015232 heme transmembrane transporter activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0015886 heme transport
GO:0017004 cytochrome complex assembly
Cellular Component
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:6zmq, PDBe:6zmq, PDBj:6zmq
PDBsum6zmq
PubMed33958791
UniProtQ72IU4

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