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Structure of PDB 2q2c Chain B Binding Site BS01

Receptor Information >2q2c Chain B (length=231) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] KKVVVGTDAAFAPFEYMQKGKIVGFDVDLLDAVMKAAGLDYELKNIGWDP LFASLQSKEVDMGISGITITDERKQSYDFSDPYFEATQVILVKQGSPVKN ALDLKGKTIGVQNATTGQEAAEKLFGKGPHIKKFETTVVAIMELLNGGVD AVITDNAVANEYVKNNPNKKLQVIEDPKNFASEYYGMIFPKNSELKAKVD EALKNVINSGKYTEIYKKWFGKEPKLDRLKQ

Ligand information Ligand ID HIS InChI InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1 InChIKey HNDVDQJCIGZPNO-YFKPBYRVSA-O SMILES Software SMILES OpenEye OEToolkits 1.5.0 c1c([nH+]c[nH]1)CC(C(=O)O)N CACTVS 3.341 N[CH](Cc1c[nH]c[nH+]1)C(O)=O CACTVS 3.341 N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O ACDLabs 10.04 O=C(O)C(N)Cc1cnc[nH+]1 OpenEye OEToolkits 1.5.0 c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N Formula C6 H10 N3 O2 Name HISTIDINE ChEMBL DrugBank ZINC PDB chain 2q2c Chain B Residue 506 [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 2q2c Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2 Resolution 2.35 Å Binding residue (original residue number in PDB) F31 W68 S85 G86 I87 T88 R93 Q132 T135 T136 D175 Binding residue (residue number reindexed from 1) F11 W48 S65 G66 I67 T68 R73 Q112 T115 T116 D155 Annotation score 4 Binding affinity MOAD: Kd=0.42uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0015276 ligand-gated monoatomic ion channel activity

	Biological Process
GO:0034220	monoatomic ion transmembrane transport

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane

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