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4BRH

Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG AND THIAMINE PHOSPHOVANADATE

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016787molecular_functionhydrolase activity
A0046872molecular_functionmetal ion binding
B0000166molecular_functionnucleotide binding
B0016787molecular_functionhydrolase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE TMV A 1395
ChainResidue
AGLY51
AGLY189
AALA190
ASER191
AGLN231
AASN302
ATYR346
ATYR350
AMG1396
ADVT1398
AHOH2007
ASER52
AHOH2008
AHOH2020
AHOH2108
AHOH2109
AHOH2117
ATHR53
AARG56
ATHR118
AALA119
AGLU159
AMET187
AGLY188

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1396
ChainResidue
ATMV1395
AHOH2007
AHOH2008
AHOH2109
AHOH2117

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MES A 1397
ChainResidue
APHE226
AVAL275
AHIS276
ALYS277
AGLN281
AHOH2139
AHOH2248
BGLU267

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DVT A 1398
ChainResidue
ALYS80
ALYS82
AASN302
APRO378
ATMV1395
AHOH2021
AHOH2022

site_idAC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE TMV B 1395
ChainResidue
BGLY51
BSER52
BTHR53
BARG56
BTHR118
BALA119
BGLU159
BMET187
BGLY188
BGLY189
BALA190
BSER191
BGLN231
BGLY299
BASN302
BTYR346
BTYR350
BMG1396
BDVT1398
BHOH2005
BHOH2006
BHOH2018
BHOH2092
BHOH2093
BHOH2098
BHOH2115
BHOH2176

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1396
ChainResidue
BTMV1395
BHOH2005
BHOH2006
BHOH2093
BHOH2098

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE MES B 1397
ChainResidue
ASER241
AGLU267
AHOH2156
BHIS224
BSER225
BPHE226
BVAL275
BHIS276
BGLN281

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DVT B 1398
ChainResidue
BLYS80
BLYS82
BASN302
BPRO378
BTMV1395
BHOH2019
BHOH2041
BHOH2150

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1399
ChainResidue
BGLU74
AMET34
BHIS42
BSER61
BTYR62
BASP63
BHIS72

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1400
ChainResidue
AARG122
AGLY156
AHOH2074
BASN240
BASP253

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1399
ChainResidue
AASN240
AASP253
AHOH2170
BARG122
BGLY156

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PDB entries from 2024-09-18

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