Structure of PDB 4nma Chain A Binding Site BS02

Receptor Information
>4nma Chain A (length=977) Species: 243231 (Geobacter sulfurreducens PCA) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNSELNTKIVNRGKEFFGSISGEKPSLFNKGAWMGKAMDWSMQNEQFKI
QMFRFVDVFPSLTTSKLLTEHIREYFGNEQDMPAFLNKVLTSNIEEMARQ
FIVGETTKEAVKNLEKLRKDGFAAVVDVLGEATLSEEEAEVYTNTYLELL
EALKKEQGSWKGLPGKGGDPGLDWGHAPKVNIAVKPTALFCLANPQDFEG
SVVAILDRMRRIFKKVMELNGFLCIDMESYRHKEIILEVFRRLKLEYRDY
PHLGIVLQAYLKDNDKDLDDLLAWAKEHKVQISVRLVKGAYWDYETVKAK
QNDWEVPVWTIKAESDAAYERQARKILENHQICHFACASHNIRTISAVME
MARELNVPEDRYEFQVLYGMAEPVRKGILKVAGRIRLYAPYGNMVPGMGY
LVRRLLENTANESFLRQSFAEDAQIERLLEDPAVTVERERAARAALGGLP
PFNNEAMVDFTRADHRAAFPKHIAQVRTQLGKTYPLFINGKEVRTNDLIP
TVNPNKPSEVLGQICQAGTTEVGDAIAAAKAAFPAWRDTDPRTRAEYLLK
AAQAARKRLFELSAWQVLEIGKQWDQAYADVTEAIDFLEYYAREMIRLGQ
PQRVGHAPGELNHYFYEPKGVAAVIAPWNFPLAISMGMASAAIVTGNCVV
FKPSGITSIIGWHLVELFREAGLPEGVFNFTPGRGSVMGDYLVDHPDISL
IAFTGSMETGLRIIERAAKVHPGQANVKKIISEMGGKNAIIIDDDADLDE
AVPHVLYSAFGFQGQKCSACSRVIVLDAVYDKFIERLVSMAKATKVGPSE
DPANYMGAVADDKAMKSIKEYAEIGKREGHVLYESPVPAGEGYFVPMTII
GGIKPEHRIAQEEIFGPVLAVMRAKDFDQAIEWANSTQFALTGGIFSRSP
EHLAKARREFRVGNLYINRNNTGALVERQPFGGARMSGVGTKAGGPDYLL
HFMDPRVVTENTMRRGFAPIEEDDDWV
Ligand information
Ligand IDTFB
InChIInChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKeyUJJLJRQIPMGXEZ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(OC1)C(=O)O
ACDLabs 10.04O=C(O)C1OCCC1
OpenEye OEToolkits 1.5.0C1C[C@H](OC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCO1
CACTVS 3.341OC(=O)[CH]1CCCO1
FormulaC5 H8 O3
NameTETRAHYDROFURAN-2-CARBOXYLIC ACID
ChEMBL
DrugBank
ZINCZINC000002164321
PDB chain4nma Chain A Residue 2002 [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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PDB4nma Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Resolution2.101 Å
Binding residue
(original residue number in PDB)		K203 Y406 Y418 R421 R422
Binding residue
(residue number reindexed from 1)		K185 Y388 Y400 R403 R404
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) N655 K678 E759 C793 E889 A969
Catalytic site (residue number reindexed from 1) N629 K652 E733 C767 E863 A943
Enzyme Commision number 1.2.1.88: L-glutamate gamma-semialdehyde dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003700 DNA-binding transcription factor activity
GO:0003842 1-pyrroline-5-carboxylate dehydrogenase activity
GO:0004657 proline dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0006562 proline catabolic process
GO:0010133 proline catabolic process to glutamate
Cellular Component
GO:0005737 cytoplasm
GO:0009898 cytoplasmic side of plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nma, PDBe:4nma, PDBj:4nma
PDBsum4nma
PubMed24550478
UniProtQ746X3

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