Structure of PDB 5b50 Chain A Binding Site BS01

Receptor Information
>5b50 Chain A (length=324) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNGDLIEEIQASSTSTDPRTFTGLSIVEDIGDVVPVTDNASPALPVSLTD
ADGNDVVVEDVSRILPLDLYGTYSKTIAGLGLVDNIVGRTVSSTEPALAD
TEVVTTGGHTLNAEAILNLHPTLVIIDHSIGPREVIDQIRAAGVATVIMS
PQRSIASIGDDIRDIASVVGLPEEGEKLAERSVAEVEEASTVVDELTPED
PLKMVFLAARGTGGVFFILGDAYGGRDLIEGLGGVDMAAEKGIMDLAPAN
AEALAELNPDVFVMMSEGLVSTGGIDGLMERPGIAQTTAGQNQRVLALPD
GQSLAFGAQTGELLLRASRELYVQ
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 chain5b50 Chain A Residue 401 [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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PDB5b50 Structural Characterization of Heme Environmental Mutants of CgHmuT that Shuttles Heme Molecules to Heme Transporters
Resolution1.65 Å
Binding residue
(original residue number in PDB)		L101 V123 G140 H141 R242 M297 D332
Binding residue
(residue number reindexed from 1)		L69 V91 G108 H109 R210 M265 D300
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links