Structure of PDB 1p7p Chain A Binding Site BS02

Receptor Information

>1p7p Chain A (length=545) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AKKILVTCALPYANGSIHLGHMLEHIQADVWVRYQRMRGHEVNFICADDA
HGTPIMLKAQQLGITPEQMIGEMSQEHQTDFAGFNISYDNYHSTHSEENR
QLSELIYSRLKENGFIKNRTISQLYDPEKGMFLPDRFVKGTCPKCKSPDQ
YGDNCEVCGATYSPTELIEPKSVVSGATPVMRDSEHFFFDLPSFSEMLQA
WTRSGALQEQVANKMQEWFESGLQQWDISRDAPYFGFEIPNAPGKYFYVW
LDAPIGYMGSFKNLCDKRGDSVSFDEYWKKDSTAELYHFIGKDIVYFHSL
FWPAMLEGSNFRKPSNLFVHGYVTVNGAKMSKSRGTFIKASTWLNHFDAD
SLRYYYTAKLSSRIDDIDLNLEDFVQRVNADIVNKVVNLASRNAGFINKR
FDGVLASELADPQLYKTFTDAAEVIGEAWESREFGKAVREIMALADLANR
YVDEQAPWVVAKQEGRDADLQAICSMGINLFRVLMTYLKPVLPKLTERAE
AFLNTELTWDGIQQPLLGHKVNPFKALYNRIDMRQVEALVEASKE

Ligand information

Ligand ID

MPH

InChI

InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1

InChIKey

XKCSXHUCPYVQIW-SCSAIBSYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CSCCC(N)P(=O)(O)O
OpenEye OEToolkits 1.5.0	CSCC[C@H](N)P(=O)(O)O
CACTVS 3.341	CSCC[CH](N)[P](O)(O)=O
CACTVS 3.341	CSCC[C@H](N)[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)C(N)CCSC

Formula

C4 H12 N O3 P S

Name

(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID;
METHIONINE PHOSPHONATE

PDB chain

1p7p Chain A Residue 553 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1p7p Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	A12 L13 D52 W253 A256 P257 Y260
Binding residue (residue number reindexed from 1)	A9 L10 D49 W250 A253 P254 Y257
Annotation score	2

Enzymatic activity

Catalytic site (original residue number in PDB)	L13 H21 H24 D52 D129 K132 S175 S178 K332 K335
Catalytic site (residue number reindexed from 1)	L10 H18 H21 D49 D126 K129 S172 S175 K329 K332
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:0006418	tRNA aminoacylation for protein translation
GO:0006431	methionyl-tRNA aminoacylation

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Molecular Function

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Biological Process

External links

PDB	RCSB:1p7p, PDBe:1p7p, PDBj:1p7p
PDBsum	1p7p
PubMed	12946347
UniProt	P00959\|SYM_ECOLI Methionine--tRNA ligase (Gene Name=metG)

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