Structure of PDB 6dzx Chain A Binding Site BS01

Receptor Information
>6dzx Chain A (length=240) Species: 663926 (Neisseria meningitidis alpha153) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIVFGTTVGDFGDMVKEQIQAELEKKGYTVKLVEFTDYVRPNLALAEGEL
DINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYPGKLKSLEEVKDGS
TVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIV
ELEAAQLPRSRADVDFAVVNGNYAISSGMKLTEALFQEPSFAYVNWSAVK
TADKDSQWLKDVTEAYNSDAFKAYAHKRFEGYKSPAAWNE
Ligand information
Ligand IDMED
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyFFEARJCKVFRZRR-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
CACTVS 3.341CSCC[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameD-METHIONINE
ChEMBLCHEMBL1234268
DrugBankDB02893
ZINCZINC000001532766
PDB chain6dzx Chain A Residue 1001 [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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PDB6dzx Structures of the Neisseria meningitides methionine-binding protein MetQ in substrate-free form and bound to l- and d-methionine isomers.
Resolution1.678 Å
Binding residue
(original residue number in PDB)		Y81 F98 Q99 H100 Y103 N153 R156 N213 N238
Binding residue
(residue number reindexed from 1)		Y38 F55 Q56 H57 Y60 N110 R113 N170 N195
Annotation score1
Binding affinityMOAD: Kd=3.5uM
PDBbind-CN: -logKd/Ki=5.46,Kd=3.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6dzx, PDBe:6dzx, PDBj:6dzx
PDBsum6dzx
PubMed31348565
UniProtC6S9R8

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