Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

2IOF

Crystal structure of phosphonoacetaldehyde hydrolase with sodium borohydride-reduced substrate intermediate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003824molecular_functioncatalytic activity
A0016787molecular_functionhydrolase activity
A0019700biological_processorganic phosphonate catabolic process
A0046872molecular_functionmetal ion binding
A0050194molecular_functionphosphonoacetaldehyde hydrolase activity
K0000287molecular_functionmagnesium ion binding
K0003824molecular_functioncatalytic activity
K0016787molecular_functionhydrolase activity
K0019700biological_processorganic phosphonate catabolic process
K0046872molecular_functionmetal ion binding
K0050194molecular_functionphosphonoacetaldehyde hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 A 361
ChainResidue
AASP12
AALA14
AGLY50
ALYS53
ATHR126
AGLY127
AMG462

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 462
ChainResidue
AASP186
APO4361
AASP12
AALA14

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 K 361
ChainResidue
KASP12
KTRP13
KALA14
KTHR126
KGLY127
KARG160
KMG462
KHOH535
KHOH536

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG K 462
ChainResidue
KASP12
KALA14
KASP186
KPO4361
KHOH535

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile
ChainResidueDetails
KASP12

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Schiff-base intermediate with substrate
ChainResidueDetails
KLDH53

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING:
ChainResidueDetails
KASP12
KALA14
KASP186

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1lvh
ChainResidueDetails
ATHR126
AARG160

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1lvh
ChainResidueDetails
KTHR126
KARG160

site_idCSA3
Number of Residues5
DetailsAnnotated By Reference To The Literature 1lvh
ChainResidueDetails
AMET49
AHIS56
ALYS53
AALA45
AASP12

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1lvh
ChainResidueDetails
KMET49
KHIS56
KALA45
KASP12

site_idMCSA1
Number of Residues8
DetailsM-CSA 181
ChainResidueDetails
KASP12hydrogen bond acceptor, metal ligand, nucleofuge, nucleophile
KALA14metal ligand
KALA45electrostatic stabiliser, hydrogen bond acceptor
KMET49activator, electrostatic stabiliser, hydrogen bond acceptor
KLDH53covalently attached, electron pair acceptor, electron pair donor, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, polar interaction, proton acceptor, proton donor
KHIS56hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
KARG160electrostatic stabiliser, hydrogen bond donor
KASP186metal ligand

222624

PDB entries from 2024-07-17

PDB statisticsPDBj update infoContact PDBjnumon