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●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●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

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 1ozh Chain B Binding Site BS02

Receptor Information >1ozh Chain B (length=545) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VRQWAHGADLVVSQLEAQGVRQVFGIPGAKIDKVFDSLLDSSIRIIPVRH EANAAFMAAAVGRITGKAGVALVTSGPGCSNLITGMATANSEGDPVVALG GAVKRADSMDTVAMFSPVTKYAIEVTAPDALAEVVSNAFRAAEQGRPGSA FVSLPQDVVDGPVSGKVLPASGAPQMAAPDDAIDQVAKLIAQAKNPIFLL GLMASQPENSKALRRLLETSHIPVTSTYQAAGAVNQDNFSRFAGRVGLFN NQAGDRLLQLADLVICIGYSPVEYEPAMWNSGNATLVHIDVLPAYEERNY TPDVELVGDIAGTLNKLAQNIDHRLVLSPQAAEILRDRQHQRELLDRRGA QLNQFALHPLRIVRAMQDIVNSDVTLTVDMGSFHIWIARYLYTFRARQVM ISNGQQTMGVALPWAIGAWLVNPERKVVSVSGDGGFLQSSMELETAVRLK ANVLHLIWVDNGYNMVAIQEEKKYQRLSGVEFGPMDFKAYAESFGAKGFA VESAEALEPTLRAAMDVDGPAVVAIPVDYRDNPLLMGQLHLSQIL

Ligand information Ligand ID PO4 InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 InChIKey NBIIXXVUZAFLBC-UHFFFAOYSA-K SMILES Software SMILES CACTVS 3.341 [O-][P]([O-])([O-])=O ACDLabs 10.04 [O-]P([O-])([O-])=O OpenEye OEToolkits 1.5.0 [O-]P(=O)([O-])[O-] Formula O4 P Name PHOSPHATE ION ChEMBL DrugBank DB14523 ZINC PDB chain 1ozh Chain B Residue 1411 [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 1ozh The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate. Resolution 2.0 Å Binding residue (original residue number in PDB) G258 R259 Q266 R352 Y406 Binding residue (residue number reindexed from 1) G244 R245 Q252 R338 Y392 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) I32 G34 A35 K36 I37 E57 T80 S121 Q169 L262 E289 M394 Q420 M422 D447 D474 G476 Y477 M479 V480 Q483 Y543 Catalytic site (residue number reindexed from 1) I26 G28 A29 K30 I31 E51 T74 S108 Q156 L248 E275 M380 Q406 M408 D433 D460 G462 Y463 M465 V466 Q469 Y529 Enzyme Commision number 2.2.1.6: acetolactate synthase.

Gene Ontology Molecular Function GO:0000287 magnesium ion binding GO:0003824 catalytic activity GO:0003984 acetolactate synthase activity GO:0016740 transferase activity GO:0030976 thiamine pyrophosphate binding GO:0046872 metal ion binding GO:0050660 flavin adenine dinucleotide binding

	Biological Process
GO:0009097	isoleucine biosynthetic process
GO:0009099	L-valine biosynthetic process
GO:0019752	carboxylic acid metabolic process
GO:0034077	butanediol metabolic process

	Cellular Component
GO:0005948	acetolactate synthase complex

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