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4BVP

Legionella pneumophila NTPDase1 crystal form II (closed) in complex with heptamolybdate and octamolybdate

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 1402
ChainResidue
AGLU233
AHIS236
AHOH2131
BGLU233
BHIS236

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE MOO A 1403
ChainResidue
AGLY120
AGLU159
AGLY189
AALA190
ASER191
AMG1404
AHOH2003
AHOH2062
AHOH2092
AHOH2093
AHOH2227
AGLY51
ASER52
ATHR118
AALA119

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1404
ChainResidue
AMOO1403
AHOH2003
AHOH2004
AHOH2093
AHOH2101
AHOH2227

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MES A 1405
ChainResidue
AHIS224
APHE226
AVAL275
AHIS276
ALYS277
AGLN281
AHOH2126
BGLU267

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1402
ChainResidue
AARG122
AGLY156
AHOH2067
BASN240
BASP253

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 1406
ChainResidue
AGLN307
AHOH2185
AHOH2186
AHOH2187
AHOH2229

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1407
ChainResidue
AGLN231
ATHR232
AGLN349
AHOH2128
AHOH2137
AHOH2230
BPRO125

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE M27 A 1408
ChainResidue
ASER306
AGLN307
ATYR341
AASP343
AASP344
AEDO1409
AHOH2231

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1409
ChainResidue
AASP343
AASP344
AM271408

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE M27 A 1410
ChainResidue
AALA104
AHIS109
ATRP139
AGLN143
ASER144
AGLN145
ATRP146
AEDO1411

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 1411
ChainResidue
AGLN143
ASER144
AM271410

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1413
ChainResidue
AASN157
AASP158
ALEU161
AHIS207
AVAL210
A6LL1412
AHOH2232

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1414
ChainResidue
ATYR116
ALYS152
AILE154
AASP158
A6LL1412

site_idBC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MO7 A 1415
ChainResidue
AARG56
ALYS80
ALYS82
AGLU345
AASN381
AHOH2206
AHOH2207
B8M01403

site_idBC6
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 8M0 B 1403
ChainResidue
BPRO125
BSER127
BGLN128
BLYS131
BHOH2060
BHOH2063
BHOH2204
ALYS82
AGLU345
ATYR346
AMO71415
AHOH2045
AHOH2206
AHOH2208

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 1418
ChainResidue
AHOH2132
AHOH2134
BHOH2115
BHOH2116

site_idBC8
Number of Residues16
DetailsBINDING SITE FOR RESIDUE MOO B 1404
ChainResidue
BGLY51
BSER52
BTHR118
BALA119
BGLY120
BGLU159
BGLY189
BALA190
BSER191
BMG1405
BHOH2003
BHOH2050
BHOH2080
BHOH2081
BHOH2087
BHOH2205

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1405
ChainResidue
BMOO1404
BHOH2003
BHOH2005
BHOH2080
BHOH2087
BHOH2205

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE MES B 1406
ChainResidue
ASER241
AGLU267
AHOH2142
BHIS224
BPHE226
BVAL275
BHIS276
BGLN281

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 1416
ChainResidue
AASN240
AASP253
BARG122
BGLY156

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 1407
ChainResidue
BGLN307
BHOH2154
BHOH2155
BHOH2156
BHOH2206

site_idCC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1408
ChainResidue
APRO125
AHOH2068
AHOH2069
BGLN231
BTHR232
BGLN349
BHOH2112
BHOH2207

site_idCC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE M27 B 1409
ChainResidue
BGLN307
BTYR341
BASP343
BASP344
BGOL1410
BHOH2180

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 1410
ChainResidue
BSER305
BASP343
BASP344
BM271409

site_idCC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE M27 B 1411
ChainResidue
BALA104
BHIS109
BTRP139
BGLN143
BSER144
BGLN145
BTRP146
BGOL1412
BHOH2048

site_idCC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1412
ChainResidue
AGLN319
APRO369
AHOH2216
BGLN142
BGLN143
BSER144
BM271411

site_idCC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 6LL B 1413
ChainResidue
AHOH2159
BLYS152
BILE154
BTHR155
BASP158
BHIS391
BGOL1414
BEDO1415
BHOH2197

site_idDC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1414
ChainResidue
AHOH2159
BASN157
BASP158
BLEU161
BHIS207
BVAL210
B6LL1413

site_idDC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1415
ChainResidue
BTYR116
BLYS152
BILE154
BASP158
B6LL1413

site_idDC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MO7 B 1416
ChainResidue
A8M01417
AHOH2236
AHOH2237
BARG56
BLYS80
BLYS82
BGLU345
BASN381
BHOH2019
BHOH2184
BHOH2208
BHOH2209
BHOH2210

site_idDC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 8M0 A 1417
ChainResidue
APRO125
ASER127
AGLN128
ALYS131
AHOH2071
AHOH2075
AHOH2234
AHOH2235
AHOH2237
AHOH2238
AHOH2239
AHOH2240
BLYS82
BGLU345
BTYR346
BMO71416

site_idDC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1417
ChainResidue
BASP49
BGLY51
BTHR53
BGLY54
BARG56
BLYS80
BHOH2004
BHOH2009
BHOH2205

site_idDC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 6LL A 1412
ChainResidue
ALYS152
AILE154
ATHR155
AASP158
APHE162
AHIS391
AGOL1413
AEDO1414
AHOH2086
AHOH2090
AHOH2221
AHOH2232

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PDB entries from 2024-07-24

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