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4BRE

Legionella pneumophila NTPDase1 crystal form II (closed) in complex with transition state mimic adenosine 5'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 Residues5
DetailsBINDING SITE FOR RESIDUE NA A 1395
ChainResidue
AGLU233
AHIS236
AHOH2114
BGLU233
BHIS236

site_idAC2
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 50T A 1396
ChainResidue
ATHR118
AALA119
AGLU159
AMET187
AGLY188
AGLY189
AALA190
ASER191
AGLN231
AGLY299
AASN302
ATYR346
AMG1397
AHOH2077
AHOH2113
AHOH2186
AHOH2187
AHOH2239
AHOH2240
AHOH2241
AHOH2242
AGLY51
ASER52
ATHR53
AARG56

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1397
ChainResidue
A50T1396
AHOH2239
AHOH2240
AHOH2241
AHOH2242

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MES A 1398
ChainResidue
AHIS224
APHE226
AHIS276
AGLN281
BGLU267

site_idAC5
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 50T B 1395
ChainResidue
BGLY51
BSER52
BTHR53
BARG56
BTHR118
BALA119
BGLY120
BGLU159
BMET187
BGLY188
BGLY189
BALA190
BSER191
BGLN231
BGLY299
BASN302
BTYR346
BMG1396
BHOH2092
BHOH2121
BHOH2173
BHOH2234
BHOH2235
BHOH2236
BHOH2237

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1396
ChainResidue
B50T1395
BHOH2234
BHOH2235
BHOH2236
BHOH2237

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MES B 1397
ChainResidue
ASER241
AGLU267
BHIS224
BPHE226
BVAL275
BHIS276
BGLN281

222415

PDB entries from 2024-07-10

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