Structure of PDB 6xr5 Chain H Binding Site BS01

Receptor Information
>6xr5 Chain H (length=392) Species: 235443 (Cryptococcus neoformans var. grubii H99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMVHEATASAPVNIACIKYWGKRDTRLILPTNSSLSVTLDQDHLRSTTTS
RADASFEAGDRLWLNGREEAIKEGGRLAVCIKELRAWRKEMETKDKNLPK
LSEWPLRIASYNNFAGLASSASGLAALVASLASLYSLPQSPSQLSLVARQ
GSGSACRSLFGGFVAWREGTDPAGSDSLAEEVAPREHWPEMHALICVVSD
AKKGTSTSGMQKTVETSTLLQERLRVVPKRMDAISQAIKARDFAEFAKLT
MADSNSFHAVCLDTAPPIFYLNDVSRAIIAVVEELNRAAGEIIAAYTFDA
GPNAVIYTLEKNMPFVLGAIKRFFPTSEEFESPFQTGVRDLPEGFNTGVV
REGGWEKGAVKGLIHTRVGDGPRVLEKEDSLLGENGVPKVLA
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain6xr5 Chain H Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xr5 Crystal Structure of Diphosphomevalonate decarboxylase (MVD1) from Cryptococcus neoformans var. grubii serotype A
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L63 S109 S121 G125 L126
Binding residue
(residue number reindexed from 1)		L64 S110 S119 G123 L124
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.33: diphosphomevalonate decarboxylase.
Gene Ontology
Molecular Function
GO:0004163 diphosphomevalonate decarboxylase activity
GO:0005524 ATP binding
GO:0016829 lyase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0016126 sterol biosynthetic process
GO:0019287 isopentenyl diphosphate biosynthetic process, mevalonate pathway
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6xr5, PDBe:6xr5, PDBj:6xr5
PDBsum6xr5
PubMed
UniProtJ9VRT5

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