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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

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Structure of PDB 3hps Chain A Binding Site BS04

Receptor Information >3hps Chain A (length=575) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TIVKPAGPPRVGQPSWNPQRASSMPVNRYRPFAEEVEPIRLRNRTWPDRV IDRAPLWCAVDLRDGNQALIDPMSPARKRRMFDLLVRMGYKEIEVGFPSA SQTDFDFVREIIEQGAIPDDVTIQVLTQCRPELIERTFQACSGAPRAIVH FYNSTSILQRRVVFRANRAEVQAIATDGARKCVEQAAKYPGTQWRFEYSP ESYTGTELEYAKQVCDAVGEVIAPTPERPIIFNLPATVEMTTPNVYADSI EWMSRNLANRESVILSLHPHNDRGTAVAAAELGFAAGADRIEGCLFGNGE RTGNVCLVTLGLNLFSRGVDPQIDFSNIDEIRRTVEYCNQLPVHERHPYG GDLVYTAFSGSHQDAINKGLDAMKLDADAADCDVDDMLWQVPYLPIDPRD VGRTYEAVIKGGVAYIMKTDHGLSLPRRLQIEFSQVIQKIEVSPKEMWDA FAEEYLAPVRPLERIRQHVDAADDDGGTTSITATVKINGVETEISGSGNG PLAAFVHALADVGFDVAVLDYYEHAMSAGDDAQAAAYVEASVTIATSKTV WGVGIAPSITTASLRAVVSAVNRAA

Ligand information Ligand ID LEU InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 InChIKey ROHFNLRQFUQHCH-YFKPBYRVSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 CC(C)C[C@@H](C(=O)O)N CACTVS 3.341 CC(C)C[C@H](N)C(O)=O OpenEye OEToolkits 1.5.0 CC(C)CC(C(=O)O)N ACDLabs 10.04 O=C(O)C(N)CC(C)C CACTVS 3.341 CC(C)C[CH](N)C(O)=O Formula C6 H13 N O2 Name LEUCINE ChEMBL CHEMBL291962 DrugBank DB00149 ZINC ZINC000003645145 PDB chain 3hps Chain B Residue 703 [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 3hps Probing the active site of M. tuberculosis LeuA Resolution 1.8 Å Binding residue (original residue number in PDB) G533 P534 L535 A536 Binding residue (residue number reindexed from 1) G500 P501 L502 A503 Annotation score 1

Enzymatic activity Enzyme Commision number 2.3.3.13: 2-isopropylmalate synthase.

Gene Ontology Molecular Function GO:0000287 magnesium ion binding GO:0003824 catalytic activity GO:0003852 2-isopropylmalate synthase activity GO:0003985 acetyl-CoA C-acetyltransferase activity GO:0005515 protein binding GO:0008270 zinc ion binding GO:0016740 transferase activity GO:0030145 manganese ion binding GO:0030955 potassium ion binding GO:0046872 metal ion binding GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer

	Biological Process
GO:0009098	L-leucine biosynthetic process
GO:0019752	carboxylic acid metabolic process

	Cellular Component
GO:0005576	extracellular region
GO:0005737	cytoplasm
GO:0005886	plasma membrane

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