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1TMM

Crystal structure of ternary complex of E.coli HPPK(W89A) with MGAMPCPP and 6-Hydroxymethylpterin

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0003848molecular_function2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
A0005524molecular_functionATP binding
A0009396biological_processfolic acid-containing compound biosynthetic process
A0016301molecular_functionkinase activity
A0046654biological_processtetrahydrofolate biosynthetic process
A0046656biological_processfolic acid biosynthetic process
B0000287molecular_functionmagnesium ion binding
B0003848molecular_function2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
B0005524molecular_functionATP binding
B0009396biological_processfolic acid-containing compound biosynthetic process
B0016301molecular_functionkinase activity
B0046654biological_processtetrahydrofolate biosynthetic process
B0046656biological_processfolic acid biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 161
ChainResidue
AASP95
AASP97
AMG162
AAPC171
AHOH404
AHOH408

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 162
ChainResidue
AAPC171
AHHR181
AHOH496
AASP95
AASP97
AMG161

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 163
ChainResidue
AGLY26
ASER31
AHOH567
AHOH644
AHOH671
AHOH672

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 164
ChainResidue
ALYS119
APHE137
APRO138
AASP139
AHOH688

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 166
ChainResidue
AHIS148
ATHR149

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 167
ChainResidue
AGLU30
ASER31
AHIS32
AHOH480
AHOH671
AHOH819

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 168
ChainResidue
ALYS119
AGOL170
AHOH417
AHOH771

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 361
ChainResidue
BASP295
BASP297
BMG362
BAPC371
BHOH431
BHOH433

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 362
ChainResidue
BASP295
BASP297
BMG361
BAPC371
BHHR381
BHOH517

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 363
ChainResidue
BLYS319
BPHE337
BASP339
BHOH525

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 364
ChainResidue
AVAL83
AARG84
AHOH503
AHOH643

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 365
ChainResidue
AASN107
BPRO266
BGLU304
BHOH603
BHOH624
BHOH714

site_idBC4
Number of Residues28
DetailsBINDING SITE FOR RESIDUE APC A 171
ChainResidue
AGLN74
AARG82
ALYS85
AALA86
AARG92
AASP95
AASP97
AILE98
AARG110
ALEU111
ATHR112
AHIS115
ATYR116
AARG121
AMG161
AMG162
AHHR181
AHOH404
AHOH408
AHOH435
AHOH440
AHOH460
AHOH496
AHOH575
AHOH584
AHOH601
AHOH627
AHOH805

site_idBC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HHR A 181
ChainResidue
AHOH407
AHOH469
AHOH496
AHOH616
ATHR42
APRO43
APRO44
ALEU45
ATYR53
AASN55
AASP95
APHE123
AMG162
AAPC171

site_idBC6
Number of Residues30
DetailsBINDING SITE FOR RESIDUE APC B 371
ChainResidue
BLEU270
BGLN274
BARG282
BLYS285
BALA286
BARG292
BASP295
BASP297
BILE298
BARG310
BLEU311
BTHR312
BHIS315
BTYR316
BARG321
BMG361
BMG362
BHHR381
BHOH431
BHOH433
BHOH436
BHOH449
BHOH471
BHOH473
BHOH507
BHOH517
BHOH576
BHOH605
BHOH670
BHOH889

site_idBC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HHR B 381
ChainResidue
BTHR242
BPRO243
BLEU245
BTYR253
BASN255
BARG292
BASP295
BPHE323
BMG362
BAPC371
BHOH464
BHOH499
BHOH517

site_idBC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 369
ChainResidue
BGLN274
BLEU278
BLYS285
BHOH432
BHOH578
BHOH654
BHOH670
BHOH804

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 170
ChainResidue
ATHR112
ATYR116
AACT168
AHOH409
AHOH920

Functional Information from PROSITE/UniProt
site_idPS00794
Number of Residues12
DetailsHPPK 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase signature. RaGPRtlDLDIM
ChainResidueDetails
AARG88-MET99

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hka
ChainResidueDetails
AARG92
AARG82

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1hka
ChainResidueDetails
BARG292
BARG282

site_idMCSA1
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
AVAL83electrostatic stabiliser, hydrogen bond donor
ATHR93electrostatic stabiliser, hydrogen bond donor
ALEU96metal ligand
AILE98metal ligand

site_idMCSA2
Number of Residues4
DetailsM-CSA 151
ChainResidueDetails
BVAL283electrostatic stabiliser, hydrogen bond donor
BTHR293electrostatic stabiliser, hydrogen bond donor
BLEU296metal ligand
BILE298metal ligand

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PDB entries from 2024-07-17

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