Structure of PDB 4czc Chain A Binding Site BS01

Receptor Information
>4czc Chain A (length=305) Species: 608538 (Hydrogenobacter thermophilus TK-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEFDKILKIIQKDIPLVKEPFSVLAQEVGIEEGKLLKTIEKLVEDGIVRH
IAPIYDSRLLGYDSALIAFKVDRQKLEEVANFVNACPGVSHNYERTHDFN
LWFTLAVPPEISELEDVVRLMAERERVKDYLVLRVVRLVYTYTPLTEEEK
RIVSITQGSFPLVERPFLEYAKRLRMSEEELLEKLSALKERGVLRRISAV
VANAMSVWEVPEDAIEEVGRYIAGFKGVSHCYQRTTSEKFRYNLFAMMHG
KGQEEIKLLAETISREKALSKYALLFSTREFKKVRIKYFSEEFERWFKEL
ISALE
Ligand information
Ligand IDUFE
InChIInChI=1S/C40H38N4O16.Fe/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29;/h13-16H,1-12H2,(H10,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyUABKTZYUFZQVBH-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(=C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O
ACDLabs 12.01O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C=6C=C8C(=C(C7=CC1=N2[Fe](n34)(N5=6)N78)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O
CACTVS 3.385OC(=O)CCC1=C(CC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C8CCC(O)=O)CC(O)=O)c(CC(O)=O)c7CCC(O)=O
FormulaC40 H36 Fe N4 O16
NameFe(III) Uroporphyrin
ChEMBL
DrugBank
ZINC
PDB chain4czc Chain A Residue 1337 [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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PDB4czc The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H93 R218 S260 H261 Y263 M278
Binding residue
(residue number reindexed from 1)		H91 R195 S229 H230 Y232 M247
Annotation score2
Enzymatic activity
Enzyme Commision number 4.1.1.111: siroheme decarboxylase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:4czc, PDBe:4czc, PDBj:4czc
PDBsum4czc
PubMed25083922
UniProtD3DFS4|NIRDL_HYDTT Siroheme decarboxylase (Gene Name=nirDL)

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