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5IFI

CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE FROM CRYPTOCOCCUS NEOFORMANS H99

Functional Information from GO Data
ChainGOidnamespacecontents
A0003987molecular_functionacetate-CoA ligase activity
A0005524molecular_functionATP binding
A0016208molecular_functionAMP binding
A0016874molecular_functionligase activity
A0019427biological_processacetyl-CoA biosynthetic process from acetate
A0046872molecular_functionmetal ion binding
B0003987molecular_functionacetate-CoA ligase activity
B0005524molecular_functionATP binding
B0016208molecular_functionAMP binding
B0016874molecular_functionligase activity
B0019427biological_processacetyl-CoA biosynthetic process from acetate
B0046872molecular_functionmetal ion binding
C0003987molecular_functionacetate-CoA ligase activity
C0005524molecular_functionATP binding
C0016208molecular_functionAMP binding
C0016874molecular_functionligase activity
C0019427biological_processacetyl-CoA biosynthetic process from acetate
C0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues22
Detailsbinding site for residue PRX A 701
ChainResidue
ATRP334
ATRP439
AMET440
ATHR441
AASP527
AILE539
AARG542
AHOH815
AHOH820
AHOH951
AHOH992
AILE335
AHOH1006
AHOH1032
AHOH1052
ATHR336
AGLY412
AGLU413
APRO414
AASP436
ATHR437
ATYR438

site_idAC2
Number of Residues3
Detailsbinding site for residue EDO A 702
ChainResidue
AGLY45
ASER50
AHOH1028

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 703
ChainResidue
ATYR48
ATYR51
ATRP55
APHE464
APRO465

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 704
ChainResidue
AARG72
ATRP77
AASP80
AHOH928

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 705
ChainResidue
AGLU139
AGLU143
ATRP170
AHOH808
AHOH953

site_idAC6
Number of Residues6
Detailsbinding site for residue EDO A 706
ChainResidue
AALA320
AHIS321
APRO322
AASN348
AHOH891
AHOH947

site_idAC7
Number of Residues7
Detailsbinding site for residue EDO A 707
ChainResidue
APRO29
AASN47
ATYR48
AALA454
AILE455
ASER456
AHOH1071

site_idAC8
Number of Residues3
Detailsbinding site for residue EDO A 708
ChainResidue
AASP76
ATRP77
ATYR78

site_idAC9
Number of Residues4
Detailsbinding site for residue EDO A 709
ChainResidue
AGLY60
APRO61
AASP64
AARG85

site_idAD1
Number of Residues7
Detailsbinding site for residue EDO A 710
ChainResidue
ATYR124
ATHR169
ATRP170
AGLN171
AARG247
AHOH804
AHOH859

site_idAD2
Number of Residues3
Detailsbinding site for residue EDO A 711
ChainResidue
AHIS43
ALYS315
ATYR316

site_idAD3
Number of Residues17
Detailsbinding site for residue PRX B 701
ChainResidue
BTRP334
BTHR336
BGLY412
BGLU413
BPRO414
BASP436
BTHR437
BTYR438
BTRP439
BMET440
BTHR441
BASP527
BARG542
BHOH927
BHOH1004
BHOH1017
BHOH1114

site_idAD4
Number of Residues5
Detailsbinding site for residue PO4 B 702
ChainResidue
BLYS315
BALA320
BPRO322
BASN348
BILE350

site_idAD5
Number of Residues2
Detailsbinding site for residue PO4 B 703
ChainResidue
BHIS43
BLYS315

site_idAD6
Number of Residues5
Detailsbinding site for residue PO4 B 704
ChainResidue
BHIS43
BILE44
BGLY45
BHOH837
BHOH860

site_idAD7
Number of Residues3
Detailsbinding site for residue PO4 B 705
ChainResidue
BARG510
BTHR514
BLYS297

site_idAD8
Number of Residues4
Detailsbinding site for residue EDO B 706
ChainResidue
BSER23
BGLU24
BASP25
BLEU26

site_idAD9
Number of Residues6
Detailsbinding site for residue EDO B 707
ChainResidue
BPRO29
BASN47
BTYR48
BALA454
BSER456
BHOH867

site_idAE1
Number of Residues6
Detailsbinding site for residue EDO B 708
ChainResidue
BASP160
BALA161
BCYS205
BGLU206
BTYR505
BHOH890

site_idAE2
Number of Residues6
Detailsbinding site for residue EDO B 709
ChainResidue
BSER607
BALA611
BPRO624
BHOH864
BHOH865
BHOH870

site_idAE3
Number of Residues3
Detailsbinding site for residue EDO B 710
ChainResidue
BGLU65
BTRP66
BHOH917

site_idAE4
Number of Residues5
Detailsbinding site for residue EDO B 711
ChainResidue
BLYS152
BCYS273
BPRO274
BGLU276
CHOH888

site_idAE5
Number of Residues14
Detailsbinding site for residue PRX C 701
ChainResidue
CTHR336
CGLY412
CGLU413
CPRO414
CASP436
CTHR437
CTYR438
CTRP439
CMET440
CTHR441
CASP527
CILE539
CARG542
CARG553

site_idAE6
Number of Residues5
Detailsbinding site for residue EDO C 702
ChainResidue
AGLU99
CASP76
CTRP77
CTYR78
CTYR106

site_idAE7
Number of Residues7
Detailsbinding site for residue EDO C 703
ChainResidue
CTYR154
CASN241
CVAL242
CGLY257
CARG258
CLYS260
CHOH801

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. ILYTSGSTGkPK
ChainResidueDetails
AILE286-LYS297

223166

PDB entries from 2024-07-31

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