Structure of PDB 6l3h Chain A Binding Site BS01

Receptor Information
>6l3h Chain A (length=741) Species: 662598 (Neisseria meningitidis alpha14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQYKKLWYLLFAVLAVCFTILGYMGSEVYKKAPPYPEQVVSASGKVLMAK
DDILAGQSAWQTTGGMEVGSVLGHGAYQAPDWTADWLHRELSAWLDLTAQ
QTYGKKFDEVSPEEQAVLKTRLADEYRNQSRIKEDGSVVISDTRVKAIES
ILPYYHGVYGDDPALQTTREHFAMKNNTLPSQEAREKLFDFFFWTSWSAS
TNRPDETFTYTNNWPHEPLINNVPTTENYMWSFTSVVLLLMGIGLLMWGY
SFLTKHEEVEVPTEDPISKVQLTPSQKALGKYVFLTVALFVVQVLLGGLT
AHYTVEGQGFEALGFEMSDWFPYALTRTWHIQSAIFWIATGFLTAGLFLA
PIVNGGKDPKFQRAGVNFLYIALFIVVGGSYAGNFFALTHILPPEFNFWF
GHQGYEYLDLGRFWQLLLMVGLLLWLFLMLRCTVSAFKEKGVDKNLLAIF
VASMVGVGVFYAPGLFYGEKSPIAVMEYWRWWVVHLWVEGFFEVFATAAF
AFVFYNMGFVRRSTATASTLAAAAIFMLGGVPGTLHHLYFSGSTSASMAI
GACFSALEVVPLVLLGREAYEHWSYQHLSEWAKRLRWPLMCFVAVAFWNM
IGAGVFGFLINPPISLFYIQGLNTSAVHAHAALFGVYGFLALGFVLLVAR
YLKPNVQFDDKLMTWGFWLLNGGLVGMIAISLLPVGVIQAYASITHGLWY
ARSEEFLQMEILDTLRWVRTAADLIFIGGAICVAIQATKIV
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 chain6l3h Chain A Residue 801 [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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PDB6l3h The active form of quinol-dependent nitric oxide reductase fromNeisseria meningitidisis a dimer.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		Y78 Q294 V295 G298 G299 A302 Y328 R332 H335 Y412 H635 L638 R724 D728 F731
Binding residue
(residue number reindexed from 1)		Y77 Q293 V294 G297 G298 A301 Y323 R327 H330 Y407 H630 L633 R719 D723 F726
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.99.7: Transferred entry: 1.7.2.5.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0009486 cytochrome bo3 ubiquinol oxidase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
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:6l3h, PDBe:6l3h, PDBj:6l3h
PDBsum6l3h
PubMed32431824
UniProtC6S880

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