Structure of PDB 2x1m Chain A Binding Site BS02

Receptor Information
>2x1m Chain A (length=511) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEPFYITTAIAYPNGVPHIGHAYEYIATDAIARFKRLDGYDVRYLTGTDV
HGQKMAETAAKEGIPAAELARRNSDVFQRLQEKLNISFDRFIRTSDADHY
EASKAIWKRMADAGDIYLDAYKGWYSIRDERFFTENETTEQPDGTRIATE
TGAPVTWTEEQTYFFRLSAYTDRLLALYEEHPEFIGPDARRNEIVSFVSG
GLKDLSISRTTFDWGVPVPDHPDHVMYVWVDALTNYLTGVGFPDTESESF
RRYWPADLHMIGKDIIRFHTVYWPAFLMSAGLPLPKRIFAHGWLLNRGEK
MSKSIGNVVDPVNLVDTFGLDQVRYFLLREVPFGQDGSYNEDAIIGRVNA
DLANELGNLAQRSLSMVAKNLGAAVPDPGEFTDEDTALLAAADALLERVR
EHFDVPAMHLALEAIWSVLGAANRYFSAQEPWVLRKSDAAEDQQRFRTVL
YTTLEVVRIASLLLQPVMPESTAKLLDLLGQPTDERDFSAIANRIKPGTS
LPAPSGIFPRY
Ligand information
Ligand ID2HP
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0OP(=O)(O)[O-]
ACDLabs 10.04[O-]P(=O)(O)O
CACTVS 3.341O[P](O)([O-])=O
FormulaH2 O4 P
NameDIHYDROGENPHOSPHATE ION
ChEMBL
DrugBankDB02831
ZINC
PDB chain2x1m Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x1m Flexibility and Communication within the Structure of the Mycobacterium Smegmatis Methionyl-tRNA Synthetase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		P188 D189 R288
Binding residue
(residue number reindexed from 1)		P187 D188 R287
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I11 H19 H22 D50 S127 D130 A149 T152 W230 I266 K301 K304
Catalytic site (residue number reindexed from 1) I10 H18 H21 D49 S126 D129 A148 T151 W229 I265 K300 K303
Enzyme Commision number 6.1.1.10: methionine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004825 methionine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006431 methionyl-tRNA aminoacylation
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:2x1m, PDBe:2x1m, PDBj:2x1m
PDBsum2x1m
PubMed20796028
UniProtA0R3E2

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