Structure of PDB 3gas Chain D Binding Site BS02

Receptor Information
>3gas Chain D (length=247) Species: 637383 (Helicobacter pylori NCTC 11639) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRIIEHMNAHHVEDMKGLLKKFGQVHHAENVAFKSVDSQGIVIGYNNNQT
LRIEFNHEVKDPKDYKNATIELCQSVEKTHDLKGVEEEVKAFKEGFDSVC
LATLHPNGHVVCSYAPLMSDGKQYYIYVSEVAEHFAGLKNNPHNVEVMFL
EDESKAKSAILRKRLRYKTNTRFIERGAEFDKAFDSFIEKTGGAGGIKTI
RAMQDFHLIALDFKEGRFVKGFGQAYDILGDKIAYVGDKGNPHNFAH
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 chain3gas Chain D Residue 1294 [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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PDB3gas Crystal Structure of Helicobacter pylori Heme Oxygenase Hugz in Complex with Heme
Resolution1.8 Å
Binding residue
(original residue number in PDB)		K23 F24 R219 V221 F224 G225 G239 G242 N243 P244 H245
Binding residue
(residue number reindexed from 1)		K21 F22 R217 V219 F222 G223 G237 G240 N241 P242 H243
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.99.3: Transferred entry: 1.14.14.18.
Gene Ontology
Molecular Function
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0046872 metal ion binding
GO:0070967 coenzyme F420 binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3gas, PDBe:3gas, PDBj:3gas
PDBsum3gas
PubMed
UniProtC0LU01

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