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Structure of PDB 1uim Chain A Binding Site BS01

Receptor Information >1uim Chain A (length=350) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MRPPLIERYRNLLPVSEKTPVISLLEGSTPLIPLKGPEEARKKGIRLYAK YEGLNPTGSFKDRGMTLAVSKAVEGGAQAVACASTGNTAASAAAYAARAG ILAIVVLPAGYVALGKVAQSLVHGARIVQVEGNFDDALRLTQKLTEAFPV ALVNSVNPHRLEGQKTLAFEVVDELGDAPHYHALPVGNAGNITAHWMGYK AYHALGKAKRLPRMLGFQAAGAAPLVLGRPVERPETLATAIRIGNPASWQ GAVRAKEESGGVIEAVTDEEILFAYRYLAREEGIFCEPASAAAMAGVFKL LREGRLEPESTVVLTLTGHGLKDPATAERVAELPPPVPARLEAVAAAAGL

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 1uim Chain A Residue 400 [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 1uim Crystal Structures of Threonine Synthase from Thermus thermophilus HB8: Conformational change, substrate recognition, and mechanism. Resolution 2.15 Å Binding residue (original residue number in PDB) F60 K61 N87 G187 N188 A189 G190 N191 A240 E287 T317 G318 Binding residue (residue number reindexed from 1) F60 K61 N87 G187 N188 A189 G190 N191 A240 E287 T317 G318 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) K61 T85 P212 G216 Q218 A240 T317 Catalytic site (residue number reindexed from 1) K61 T85 P212 G216 Q218 A240 T317 Enzyme Commision number 4.2.3.1: threonine synthase.

Gene Ontology Molecular Function GO:0004795 threonine synthase activity GO:0016829 lyase activity GO:0030170 pyridoxal phosphate binding

	Biological Process
GO:0006520	amino acid metabolic process
GO:0009088	threonine biosynthetic process
GO:0019344	cysteine biosynthetic process
GO:1901605	alpha-amino acid metabolic process

	Cellular Component
GO:0005737	cytoplasm

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