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5CM7

Structure of thiamine-monophosphate kinase from Acinetobacter baumannii in complex with adenosine diphosphate (ADP) and thiamine diphosphate (TPP)

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 Residues29
Detailsbinding site for residue ADP A 401
ChainResidue
AILE7
AASP118
ATHR119
AMG403
AHOH531
AHOH532
AHOH601
AHOH606
AHOH661
AHOH673
BASP43
APHE11
BASP71
BARG143
BSER200
BTPP401
BCA402
BMG404
BHOH517
BHOH600
BHOH615
BHOH675
AILE23
AGLY24
AASP25
AASP26
ALEU84
AGLY116
AGLY117

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 402
ChainResidue
AASP118
AMG403
AHOH544
AHOH621
BTPP401
BHOH621

site_idAC3
Number of Residues8
Detailsbinding site for residue MG A 403
ChainResidue
AASP118
AADP401
ACA402
AHOH582
BASP43
BTPP401
BCA402
BNA408

site_idAC4
Number of Residues9
Detailsbinding site for residue NA A 404
ChainResidue
AALA42
AASP43
AASP71
AHOH637
AHOH762
BADP405
BMG407
BHOH564
BHOH614

site_idAC5
Number of Residues24
Detailsbinding site for residue TPP A 405
ChainResidue
AASP43
AGLY48
AARG49
AHIS50
APHE51
APRO52
ALEU165
ASER200
AASP201
AGLY246
AASP248
ATYR301
AHIS303
ACA406
ACA407
AHOH536
AHOH708
BASP118
BADP405
BCA406
BMG407
BHOH515
BHOH523
BHOH650

site_idAC6
Number of Residues6
Detailsbinding site for residue CA A 406
ChainResidue
AASP43
AASP71
ATPP405
AHOH568
AHOH689
BADP405

site_idAC7
Number of Residues5
Detailsbinding site for residue CA A 407
ChainResidue
AASP201
ATPP405
AHOH538
BHOH523
BHOH572

site_idAC8
Number of Residues7
Detailsbinding site for residue MG A 408
ChainResidue
AASP71
AARG143
AASP198
AHOH646
AHOH689
BASP26
BADP405

site_idAC9
Number of Residues24
Detailsbinding site for residue TPP B 401
ChainResidue
AHOH544
BASP43
BGLY48
BARG49
BHIS50
BPHE51
BPRO52
BLEU165
BLEU176
BSER200
BASP201
BGLY246
BASP248
BTYR301
BHIS303
BCA402
BCA403
BHOH548
BHOH628
AASP118
AADP401
ACA402
AMG403
AHOH532

site_idAD1
Number of Residues7
Detailsbinding site for residue CA B 402
ChainResidue
AADP401
AMG403
BASP43
BASP71
BTPP401
BHOH588
BHOH675

site_idAD2
Number of Residues5
Detailsbinding site for residue CA B 403
ChainResidue
AHOH532
AHOH591
BASP201
BTPP401
BHOH517

site_idAD3
Number of Residues7
Detailsbinding site for residue MG B 404
ChainResidue
AASP26
AADP401
BASP71
BARG143
BASP198
BHOH600
BHOH675

site_idAD4
Number of Residues30
Detailsbinding site for residue ADP B 405
ChainResidue
AASP43
AASP71
AARG143
ASER200
ANA404
ATPP405
ACA406
AMG408
AHOH624
AHOH646
AHOH689
BILE7
BPHE11
BILE23
BGLY24
BASP25
BASP26
BLEU84
BGLY116
BGLY117
BASP118
BTHR119
BMG407
BHOH523
BHOH566
BHOH572
BHOH613
BHOH614
BHOH660
BHOH661

site_idAD5
Number of Residues6
Detailsbinding site for residue CA B 406
ChainResidue
ATPP405
AHOH683
BASP118
BMG407
BHOH515
BHOH650

site_idAD6
Number of Residues7
Detailsbinding site for residue MG B 407
ChainResidue
AASP43
ANA404
ATPP405
BASP118
BADP405
BCA406
BHOH564

site_idAD7
Number of Residues8
Detailsbinding site for residue NA B 408
ChainResidue
AMG403
AHOH582
AHOH601
BALA42
BASP43
BASP71
BHOH586
BHOH709

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PDB entries from 2024-07-10

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