Structure of PDB 6an0 Chain A Binding Site BS02

Receptor Information
>6an0 Chain A (length=433) Species: 1338011 (Elizabethkingia anophelis NUHP1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHHHMQTYINPPLSEWKNLIQRPVQKAEDLQNIVLTVFEDIKNEKDKAL
INYTKKFDKAYLTDIRVSSDEITAAIALVSDELIQAIQMAASNIEKFHAS
QKENKNIIETTEGVNCWREARPIENIGIYIPGGSAPLFSTVLMLGIPAQL
AGCKNITLCTPPDESGNINPAILYTANLIGIKNIYKAGGIQAIGAMTFGT
ETIEKADKIFGPGNQYVTAAKQIAQNFGVAIDMPAGPSEVLVIADTTANP
EFVAADLLSQAEHGADSQVILLTTDENILQQTLMQVENQLTQLPRKSIAS
QALLQSRGIVLDSIEKCIAFSNLYAPEHLILAIENTENYTDKITSAGSVF
LGNFSCESAGDYASGTNHTLPTNGYARNYSGVSLDSFIKKITFQKVTKKG
IQNIGPGIEKMAEAEELFAHKHAVSVRLKSLNS
Ligand information
Ligand IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain6an0 Chain A Residue 520 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6an0 Crystal Structure of Histidinol Dehydrogenase from Elizabethkingia anophelis
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E98 N99 K100 R113 E114 A115 K385
Binding residue
(residue number reindexed from 1)		E103 N104 K105 R118 E119 A120 K390
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q255 H258 E322 H323 D356 H415
Catalytic site (residue number reindexed from 1) Q260 H263 E327 H328 D361 H420
Enzyme Commision number 1.1.1.23: histidinol dehydrogenase.
Gene Ontology
Molecular Function
GO:0004399 histidinol dehydrogenase activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding
GO:0051287 NAD binding
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6an0, PDBe:6an0, PDBj:6an0
PDBsum6an0
PubMed
UniProtA0A077ECF2

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