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4BRK

Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP

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 Residues31
DetailsBINDING SITE FOR RESIDUE UNP A 1395
ChainResidue
AGLY51
AGLY189
AALA190
ASER191
AGLN231
AGLY298
AGLY299
ATYR302
ATYR346
AMG1396
AHOH2007
ASER52
AHOH2008
AHOH2027
AHOH2028
AHOH2127
AHOH2198
AHOH2199
AHOH2219
AHOH2221
AHOH2244
AHOH2330
ATHR53
AHOH2409
AHOH2411
AARG56
ATHR118
AALA119
AGLU159
AMET187
AGLY188

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1396
ChainResidue
AUNP1395
AHOH2007
AHOH2008
AHOH2199
AHOH2219

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MES A 1397
ChainResidue
AHIS276
AGLN281
AHOH2240
AHOH2304
BASN240
BSER241
BGLU267

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 1396
ChainResidue
AARG122
AHOH2191
BASN240

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 1398
ChainResidue
AGLY298
ASER301
APRO378
AASN381
ALEU382
AHOH2027
AHOH2081
AHOH2329
AHOH2400
AHOH2407

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1399
ChainResidue
AGLN89
BGLN89

site_idAC7
Number of Residues28
DetailsBINDING SITE FOR RESIDUE UNP B 1397
ChainResidue
BGLY51
BSER52
BTHR53
BARG56
BTHR118
BALA119
BGLU159
BMET187
BGLY188
BGLY189
BALA190
BSER191
BGLN231
BGLY298
BGLY299
BTYR302
BTYR346
BMG1398
BHOH2004
BHOH2005
BHOH2022
BHOH2023
BHOH2111
BHOH2161
BHOH2162
BHOH2186
BHOH2214
BHOH2283

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1398
ChainResidue
BUNP1397
BHOH2004
BHOH2005
BHOH2161
BHOH2186

site_idAC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE MES B 1399
ChainResidue
BLYS277
BGLN281
BHOH2355
ASER241
AGLU267
AHOH2259
AHOH2260
BHIS224
BPHE226
BVAL275
BHIS276

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1400
ChainResidue
AASN240
AASP253
AHOH2278
BARG122
BGLY156

site_idBC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 1400
ChainResidue
BGLY298
BSER301
BPRO378
BASN381
BLEU382
BHOH2022
BHOH2067
BHOH2281
BHOH2342
BHOH2347

218853

PDB entries from 2024-04-24

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