Structure of PDB 5ohx Chain B Binding Site BS01

Receptor Information
>5ohx Chain B (length=488) Species: 7460 (Apis mellifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPNRPSYCTWELNATNSPHTCRTKNGDYTKIMPDILTAIGQTPLIKLNNI
PKSYGIKCEIYAKCEFLNPGGSVKDRIAYRMIQDAEDKGLLKPGCTIIEP
TSGNTGIGLAMAAAVRGYKCIIVMPEKMSDEKISTLYALGAKIIRTPTEA
SWHSPEAHISVAQKLQKEIPNSIILDQYTNPGNPLAHYDQTAIEIWKQCE
GKIDYLVAGAGTGGTISGIGRKLKELSPNIKIIAVDPKGSILDPSSDEVG
FYEVEGIGYDFIPTVLDRNVIDKWIKTEDNESLNAARMLIRQEGLLCGGS
SGAALIAALKIAKDIPEEKRMVIILPDGIRNYLTKFVSEYWMETRGFLQP
VCQNEMNKWWWNMKISNLSFDKQSLLKENTVTCQEAMHMLKNADSQLLVI
SDDNIHIKGVISLNKLTSYVISGIVKCTDFVDKAMVKQYVKVKHSATLGY
ISRVLEKEPYVIILDDEHDDAFIGIVNQFHILQFITKN
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 chain5ohx Chain B Residue 701 [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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PDB5ohx Crystal structure of cystathionine beta-synthase from honeybee Apis mellifera.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R8 Y11 C12 T13 W14 N20 S21 P22 H23 P185 P188 L189 Y192 R225
Binding residue
(residue number reindexed from 1)		R4 Y7 C8 T9 W10 N16 S17 P18 H19 P181 P184 L185 Y188 R221
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.22: cystathionine beta-synthase.
Gene Ontology
Molecular Function
GO:0004122 cystathionine beta-synthase activity
GO:0016829 lyase activity
GO:0020037 heme binding
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion binding
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0019343 cysteine biosynthetic process via cystathionine
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ohx, PDBe:5ohx, PDBj:5ohx
PDBsum5ohx
PubMed29275181
UniProtQ2V0C9|CBS_APIME Cystathionine beta-synthase (Gene Name=CBS)

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