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Structure of PDB 1e5f Chain A Binding Site BS02

Receptor Information >1e5f Chain A (length=393) Species: 412133 (Trichomonas vaginalis G3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ERMTPATACIHANPQKDQFGAAIPPIYQTSTFVFDNCQQGGNRFAGQESG YIYTRLGNPTVSNLEGKIAFLEKTEACVATSSGMGAIAATVLTILKAGDH LISDECLYGCTHALFEHALTKFGIQVDFINTAIPGEVKKHMKPNTKIVYF ETPANPTLKIIDMERVCKDAHSQEGVLVIADNTFCSPMITNPVDFGVDVV VHSATKYINGHTDVVAGLICGKADLLQQIRMVGIKDITGSVISPHDAWLI TRGLSTLNIRMKAESENAMKVAEYLKSHPAVEKVYYPGFEDHEGHDIAKK QMRMYGSMITFILKSGFEGAKKLLDNLKLITLAVSLGGCESLIQHPASMT HAVVPKEEREAAGITDGMIRLSVGIEDADELIADFKQGLDALL

Ligand information Ligand ID PLP InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C Formula C8 H10 N O6 P Name PYRIDOXAL-5'-PHOSPHATE; VITAMIN B6 Phosphate ChEMBL CHEMBL82202 DrugBank DB00114 ZINC ZINC000001532514 PDB chain 1e5f Chain B Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1e5f The Structure and Proposed Catalytic Mechanism of Methionine Gamma-Lyase Resolution 2.18 Å Binding residue (original residue number in PDB) Y56 R58 Binding residue (residue number reindexed from 1) Y53 R55 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) R58 Y111 D184 K209 Catalytic site (residue number reindexed from 1) R55 Y108 D181 K206 Enzyme Commision number 4.4.1.11: methionine gamma-lyase.

Gene Ontology Molecular Function GO:0016829 lyase activity GO:0016846 carbon-sulfur lyase activity GO:0018826 methionine gamma-lyase activity GO:0030170 pyridoxal phosphate binding

	Biological Process
GO:0019346	transsulfuration

	Cellular Component
GO:0005737	cytoplasm

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