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Structure of PDB 2rkn Chain A Binding Site BS04

Receptor Information >2rkn Chain A (length=77) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] AIDLCGMSQDELNECKPAVSKENPTSPSQPCCTALQHADFACLCGYKNSP WLGSFGVDPELASALPKQCGLANAPTC

Ligand information Ligand ID LP3 InChI InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1 InChIKey IHNKQIMGVNPMTC-RUZDIDTESA-O SMILES Software SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O ACDLabs 10.04 O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC CACTVS 3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C CACTVS 3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O Formula C26 H55 N O7 P Name (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE ChEMBL DrugBank ZINC ZINC000032822175 PDB chain 2rkn Chain A Residue 102 [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 2rkn The structure of "defective in induced resistance" protein of Arabidopsis thaliana, DIR1, reveals a new type of lipid transfer protein. Resolution 1.6 Å Binding residue (original residue number in PDB) Q9 K47 W51 P59 A62 S63 C77 Binding residue (residue number reindexed from 1) Q9 K47 W51 P59 A62 S63 C77 Annotation score 1 Binding affinity MOAD: Kd=0.06uM PDBbind-CN: -logKd/Ki=7.22,Kd=0.06uM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005504 fatty acid binding GO:0005515 protein binding GO:0008270 zinc ion binding GO:0008289 lipid binding GO:0046872 metal ion binding

	Biological Process
GO:0006869	lipid transport
GO:0006952	defense response
GO:0009627	systemic acquired resistance
GO:0009862	systemic acquired resistance, salicylic acid mediated signaling pathway

	Cellular Component
GO:0005783	endoplasmic reticulum
GO:0009506	plasmodesma
GO:0048046	apoplast
GO:0070161	anchoring junction
GO:0099503	secretory vesicle

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