Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●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

BioLiP

Structure of PDB 3wiq Chain A Binding Site BS01

Receptor Information
>3wiq Chain A (length=751) Species: 351627 (Caldicellulosiruptor saccharolyticus DSM 8903) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLSEREWLIEQDKLEASGKFETCFALTNGYIGIRGINEEVFCEETPGTY
IAGVFDKSTAQVTELVNLPNPIGLRIYINREFLNPLKCEILEFKRVLDLK
QGILYRKLRLKDVKGRITTIEGFRFVSMNNKNLIVQKYDVVCENYSAVLN
VESFIDATTVNSKDVPNDRVKHYEIDKKKDFADGIYLGITTKDKKYKVGI
ASSTKVLLNNQRCYFNRFTKDLGYIITENFEVEAKQGERYEIEKLTVLVS
SREKNVGDVFETCTNKLKEFETKSAEKLLFEHIEEYKRLWDVANIDIVGD
EVANKSVKFNIFHLISMANPEDEHVSLGAKGLHGEGYKGHVFWDTEIFML
PFYIYTNPAAAKAMLMYRYNLLDAARENARKNGYKGAQFPWESADTGEEE
TPKWGYDYLGNPVRIWTGDIEYHISADIAYAVMNYVRATDDIDFLLNYGS
EIIIETARFWASICKYNKEKGRYEINDVIGPDEFHEHCNNNAYTNYLAKW
NLLKASELCNLLLEKYPKYFEKLSKKINLSDEEPFVWQEIASKIYIPYHP
DKKLIEQFEGYFNLKDFVIKEYDQNNMPVWPEGVELDKLNNYQLIKQADV
VMLLYLLGEEFDDQTKKINYDYYEKRTMHKSSLSPSIYALMGVRVGETNR
AYINFMRTALTDLEDNQGNTHLGIHAASLGGTWQALVFGFGGISIEKDDV
LSVNPWLPEKWESLKFSIWWKGNLLDFKITKDNVEVKKRVEKGNVKLKIK
G
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3wiq Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB3wiq Structural and mutational analysis of substrate recognition in kojibiose phosphorylase
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y337 W391 E392 T417 E483 K596
Binding residue
(residue number reindexed from 1)		Y337 W391 E392 T417 E483 K596
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E483
Catalytic site (residue number reindexed from 1) E483
Enzyme Commision number 2.4.1.230: kojibiose phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0033831 kojibiose phosphorylase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417