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Structure of PDB 1sw1 Chain B Binding Site BS03

Receptor Information >1sw1 Chain B (length=270) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ERVVIGSKPFNEQYILANMIAILLEENGYKAEVKEGLGGTLVNYEALKRN DIQLYVEYTGTAYNVILRKQPPELWDQQYIFDEVKKGLLEADGVVVAAKL GFRDDYALAVRADWAEENGVEKISDLAEFADQLVFGSDPEFASRPDGLPQ IKKVYGFEFKEVKQMEPTLMYEAIKNKQVDVIPAYTTDSRVDLFNLKILE DDKGALPPYDAIIIVNGNTAKDEKLISVLKLLEDRIDTDTMRALNYQYDV EKKDAREIAMSFLKEQGLVK

Ligand information Ligand ID PBE InChI InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1 InChIKey CMUNUTVVOOHQPW-LURJTMIESA-O SMILES Software SMILES OpenEye OEToolkits 1.5.0 C[N+]1(CCCC1C(=O)O)C ACDLabs 10.04 O=C(O)C1[N+](C)(C)CCC1 CACTVS 3.341 C[N+]1(C)CCC[C@H]1C(O)=O OpenEye OEToolkits 1.5.0 C[N+]1(CCC[C@H]1C(=O)O)C CACTVS 3.341 C[N+]1(C)CCC[CH]1C(O)=O Formula C7 H14 N O2 Name 1,1-DIMETHYL-PROLINIUM; PROLINE BETAINE ChEMBL DrugBank ZINC ZINC000002528042 PDB chain 1sw1 Chain B Residue 302 [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 1sw1 Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus. Resolution 1.9 Å Binding residue (original residue number in PDB) K13 Y63 T66 D109 Y111 R149 Y190 Y214 Binding residue (residue number reindexed from 1) K8 Y58 T61 D104 Y106 R144 Y185 Y209 Annotation score 1 Binding affinity MOAD: Kd=50nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0022857 transmembrane transporter activity GO:0046872 metal ion binding

	Biological Process
GO:0055085	transmembrane transport

	Cellular Component
GO:0043190	ATP-binding cassette (ABC) transporter complex

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