Structure of PDB 5b51 Chain A Binding Site BS01

Receptor Information
>5b51 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]
SSNGDLIEEIQASSTSTDPRTFTGLSIVEDIGDVVPVTDNASPALPVSLT
DADGNDVVVEDVSRILPLDLYGTYSKTIAGLGLVDNIVGRTVSSTEPALA
DTEVVTTGGHTLNAEAILNLHPTLVIIDHSIGPREVIDQIRAAGVATVIM
SPQRSIASIGDDIRDIASVVGLPEEGEKLAERSVAEVEEASTVVDELTPE
DPLKMVFLYAAGTGGVFFILGDAYGGRDLIEGLGGVDMAAEKGIMDLAPA
NAEALAELNPDVFVMMSEGLVSTGGIDGLMERPGIAQTTAGQNQRVLALP
DGQSLAFGAQTGELLLRASRELYV
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 chain5b51 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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PDB5b51 Structural Characterization of Heme Environmental Mutants of CgHmuT that Shuttles Heme Molecules to Heme Transporters
Resolution1.3 Å
Binding residue
(original residue number in PDB)		L101 G140 H141 Y240 Y255 M297 E299
Binding residue
(residue number reindexed from 1)		L70 G109 H110 Y209 Y224 M266 E268
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links