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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 1ozg Chain B Binding Site BS01

Receptor Information >1ozg 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] YPVRQWAHGADLVVSQLEAQGVRQVFGIPGAKIDKVFDSLLDSSIRIIPV RHEANAAFMAAAVGRITGKAGVALVTSGPGCSNLITGMATANSEGDPVVA LGGAVKRADKAKQSMDTVAMFSPVTKYAIEVTAPDALAEVVSNAFRAAEQ GRPGSAFVSLPQDVVDGPVSGKVLPASAPQMGAAPDDAIDQVAKLIAQAK NPIFLLGLMASQPENSKALRRLLETSHIPVTSTYQAAGAVNQDNFSRFAG RVGLFNNQAGDRLLQLADLVICIGYSPVEYEPAMWNSGNATLVHIDVLPA YEERNYTPDVELVGDIAGTLNKLAQNIDHRLVLSPQAAEILRDRQHQREL LDRRAQLNQFALHPLRIVRAMQDIVNSDVTLTVDMGSFHIWIARYLYTFR ARQVMISNGQQTMGVALPWAIGAWLVNPERKVVSVSGDGGFLQSSMELET AVRLKANVLHLIWVDNGYNMVAIQEEKKYQRLSGVEFGPMDFKAYAESFG AKGFAVESAEALEPTLRAAMDVDGPAVVAIPVDYRDNPLLMGQLH

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 1ozg 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 1ozg The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate. Resolution 2.3 Å Binding residue (original residue number in PDB) R259 Q266 R352 Y406 Binding residue (residue number reindexed from 1) R251 Q258 R344 Y397 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) I28 G30 A31 K32 I33 E53 T76 S114 Q162 L254 E281 M385 Q411 M413 D438 D465 G467 Y468 M470 V471 Q474 Y534 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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