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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

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Structure of PDB 1gc3 Chain H Binding Site BS01

Receptor Information >1gc3 Chain H (length=382) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MRGLSRRVQAMKPDAVVAVNAKALELRRQGVDLVALTAGEPDFDTPEHVK EAARRALAQGKTKYAPPAGIPELREALAEKFRRENGLSVTPEETIVTVGG SQALFNLFQAILDPGDEVIVLSPYWVSYPEMVRFAGGVVVEVETLPEEGF VPDPERVRRAITPRTKALVVNSPNNPTGAVYPKEVLEALARLAVEHDFYL VSDEIYEHLLYEGEHFSPGRVAPEHTLTVNGAAKAFAMTGWRIGYACGPK EVIKAMASVSRQSTTSPDTIAQWATLEALTNQEASRAFVEMAREAYRRRR DLLLEGLTALGLKAVRPSGAFYVLMDTSPIAPDEVRAAERLLEAGVAVVP GTDFAAFGHVRLSYATSEENLRKALERFARVL

Ligand information Ligand ID TRP InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 InChIKey QIVBCDIJIAJPQS-VIFPVBQESA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1ccccc1nc2 OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N CACTVS 3.341 N[CH](Cc1c[nH]c2ccccc12)C(O)=O CACTVS 3.341 N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Formula C11 H12 N2 O2 Name TRYPTOPHAN ChEMBL CHEMBL54976 DrugBank DB00150 ZINC ZINC000000083315 PDB chain 1gc3 Chain H Residue 3914 [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 1gc3 Substrate recognition mechanism of thermophilic dual-substrate enzyme. Resolution 3.3 Å Binding residue (original residue number in PDB) V3516 G3539 N3675 Y3822 R3861 Binding residue (residue number reindexed from 1) V16 G39 N175 Y322 R361 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) W3625 D3703 I3705 K3734 Catalytic site (residue number reindexed from 1) W125 D203 I205 K234 Enzyme Commision number 2.6.1.1: aspartate transaminase. 2.6.1.78: aspartate--prephenate aminotransferase.

Gene Ontology Molecular Function GO:0003824 catalytic activity GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity GO:0008483 transaminase activity GO:0030170 pyridoxal phosphate binding GO:0033853 aspartate-prephenate aminotransferase activity

	Biological Process
GO:0006520	amino acid metabolic process
GO:0009058	biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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