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5DD7

Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with AMPPNP and thiamine-monophosphate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000287molecular_functionmagnesium ion binding
A0005524molecular_functionATP binding
A0009030molecular_functionthiamine-phosphate kinase activity
A0009228biological_processthiamine biosynthetic process
A0009229biological_processthiamine diphosphate biosynthetic process
A0016301molecular_functionkinase activity
A0046872molecular_functionmetal ion binding
B0000287molecular_functionmagnesium ion binding
B0005524molecular_functionATP binding
B0009030molecular_functionthiamine-phosphate kinase activity
B0009228biological_processthiamine biosynthetic process
B0009229biological_processthiamine diphosphate biosynthetic process
B0016301molecular_functionkinase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues34
Detailsbinding site for residue ANP A 401
ChainResidue
APHE4
AGLY117
AASP118
ATHR119
AMG403
AK406
AHOH522
AHOH528
AHOH572
AHOH577
AHOH603
AILE7
BASP43
BASP71
BARG143
BSER200
BASP201
BTPS401
BMG402
BMG403
BK404
BMG406
APHE11
BHOH539
BHOH541
BHOH553
BHOH577
BHOH607
AILE23
AGLY24
AASP25
AASP26
ALEU84
AGLY116

site_idAC2
Number of Residues5
Detailsbinding site for residue MG A 402
ChainResidue
AASP201
ATPS408
BANP405
BHOH511
BHOH562

site_idAC3
Number of Residues4
Detailsbinding site for residue MG A 403
ChainResidue
AASP118
AANP401
AHOH528
BASP43

site_idAC4
Number of Residues6
Detailsbinding site for residue K A 404
ChainResidue
AASP71
AHOH549
AHOH584
AHOH678
BASP26
BANP405

site_idAC5
Number of Residues6
Detailsbinding site for residue K A 405
ChainResidue
AALA74
AMET75
AVAL141
AMET196
BASP25
BASP26

site_idAC6
Number of Residues6
Detailsbinding site for residue K A 406
ChainResidue
AGLU3
AASP118
ATHR119
AANP401
AHOH572
BTPS401

site_idAC7
Number of Residues5
Detailsbinding site for residue EDO A 407
ChainResidue
AGLY156
AGLN157
AARG175
AARG182
AHOH639

site_idAC8
Number of Residues21
Detailsbinding site for residue TPS A 408
ChainResidue
AGLY48
AARG49
AHIS50
APHE51
APRO52
ALEU165
ALEU176
ASER200
AASP201
AGLY246
AASP248
ATYR301
AHIS303
AMG402
AHOH509
AHOH526
AHOH533
BTHR120
BANP405
BK408
BHOH562

site_idAC9
Number of Residues5
Detailsbinding site for residue MG A 409
ChainResidue
AASP43
AASP71
AHOH582
BANP405
BHOH572

site_idAD1
Number of Residues6
Detailsbinding site for residue MG A 410
ChainResidue
AASP71
AASP198
AHOH626
BASP26
BANP405
BHOH572

site_idAD2
Number of Residues4
Detailsbinding site for residue MG A 411
ChainResidue
AHOH549
BASP118
BANP405
AASP43

site_idAD3
Number of Residues21
Detailsbinding site for residue TPS B 401
ChainResidue
ATHR120
AANP401
AK406
AHOH522
AHOH592
BGLY48
BARG49
BHIS50
BPHE51
BPRO52
BLEU165
BLEU176
BSER200
BASP201
BASP248
BTYR301
BHIS303
BMG406
BHOH514
BHOH539
BHOH561

site_idAD4
Number of Residues5
Detailsbinding site for residue MG B 402
ChainResidue
AANP401
BASP43
BASP71
BHOH553
BHOH577

site_idAD5
Number of Residues6
Detailsbinding site for residue MG B 403
ChainResidue
AASP26
AANP401
BASP71
BASP198
BHOH553
BHOH607

site_idAD6
Number of Residues6
Detailsbinding site for residue K B 404
ChainResidue
AASP26
AANP401
AHOH528
BASP71
BHOH620
BHOH657

site_idAD7
Number of Residues34
Detailsbinding site for residue ANP B 405
ChainResidue
AASP43
AASP71
AARG143
ASER200
AASP201
AMG402
AK404
ATPS408
AMG409
AMG410
AMG411
AHOH533
AHOH549
AHOH558
AHOH582
AHOH626
BPHE4
BILE7
BPHE11
BILE23
BGLY24
BASP25
BASP26
BLEU84
BGLY116
BGLY117
BASP118
BTHR119
BK408
BHOH511
BHOH571
BHOH572
BHOH578
BHOH590

site_idAD8
Number of Residues5
Detailsbinding site for residue MG B 406
ChainResidue
AANP401
AHOH522
AHOH592
BASP201
BTPS401

site_idAD9
Number of Residues6
Detailsbinding site for residue K B 407
ChainResidue
AASP25
AASP26
BALA74
BMET75
BVAL141
BMET196

site_idAE1
Number of Residues6
Detailsbinding site for residue K B 408
ChainResidue
ATPS408
BGLU3
BASP118
BTHR119
BANP405
BHOH571

site_idAE2
Number of Residues3
Detailsbinding site for residue EDO B 409
ChainResidue
BGLY156
BARG182
BHOH615

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PDB entries from 2024-08-07

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