Structure of PDB 6cse Chain M Binding Site BS02

Receptor Information
>6cse Chain M (length=431) Species: 267377 (Methanococcus maripaludis S2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WGPYMLVLLLGTGIFLTLRLGFMQIHTLPYALKLAFSKETSEGDISHFQA
LMTALAATIGTGNIAGVATAYVLGGPGAIFWMWVTAFFGMATKYAEAVLA
IKYRTVDDNGEMAGGPMYFLEKGLPLGKILGVAFAFFGAFAAFGIGNMVQ
TNSVADAVASNFGVDPLITGFVLAIFTAAVILGGIKSIGKATGIIVPFMA
VFYILAGLVILAMNIGYIIPAFGTIFSSAFNFSAGFGALIGTAIMWGVKR
GVFSNEAGLGSAPIAAAAAKTDHPGRQALVSMTGTFLDTIVVCTITGLVL
TIAGLKAFPGLTDLTGASLTAASFDALMPMGGLIVTIGLVFFAYSTVLGW
SYYGEKCFEYLIGTKGIRLYRIAFVLVAFWGATASLPLVWNIADTLNGAM
AIPNLIGLLLLSGVVVSETKAFNEIRKNEAK
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain6cse Chain M Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cse Structural basis for substrate binding and specificity of a sodium-alanine symporter AgcS.
Resolution3.24 Å
Binding residue
(original residue number in PDB)		A74 T75 G77 N80 Q170 F273 S274 E276
Binding residue
(residue number reindexed from 1)		A57 T58 G60 N63 Q150 F253 S254 E256
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=5.60,Kd=2.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005283 amino acid:sodium symporter activity
GO:0015293 symporter activity
Biological Process
GO:0003333 amino acid transmembrane transport
GO:0006814 sodium ion transport
GO:0006865 amino acid transport
GO:0035725 sodium ion transmembrane transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6cse, PDBe:6cse, PDBj:6cse
PDBsum6cse
PubMed30659158
UniProtQ6LX42|AGCS_METMP Sodium/alanine symporter AgcS (Gene Name=agcS)

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