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3LDI

Crystal structure of aprotinin in complex with sucrose octasulfate: unusual interactions and implication for heparin binding

Functional Information from GO Data
ChainGOidnamespacecontents
A0004867molecular_functionserine-type endopeptidase inhibitor activity
B0004867molecular_functionserine-type endopeptidase inhibitor activity
C0004867molecular_functionserine-type endopeptidase inhibitor activity
D0004867molecular_functionserine-type endopeptidase inhibitor activity
E0004867molecular_functionserine-type endopeptidase inhibitor activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 59
ChainResidue
AGLU7
AARG42
AHOH89
AHOH144

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 60
ChainResidue
AILE18
AARG20
ALYS46
AHOH106

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 61
ChainResidue
AHOH75
EPRO2
EASP3
EHOH69
APRO2

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 62
ChainResidue
AARG42
AHOH85
EARG1

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE HG A 63
ChainResidue
ACYS30

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 59
ChainResidue
BGLU7
BLYS41
BARG42
BHOH78
BHOH86

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 60
ChainResidue
BILE18
BARG20
BHOH134
CHOH178
CHOH183

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 61
ChainResidue
BLYS26
BARG42
BHOH68
DHOH174

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 62
ChainResidue
BCYS14
BCYS38
BGOL63
CPRO9
CPHE22
CPHE33
CHOH63

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE GOL B 63
ChainResidue
BSO462

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE HG B 64
ChainResidue
BCYS30
EARG53

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 59
ChainResidue
CLYS41
CARG42
CHOH156

site_idBC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 60
ChainResidue
CILE18
CARG20
CLYS46

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL C 61
ChainResidue
CARG1
CARG42
CHOH75

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE HG C 62
ChainResidue
BHOH84
CCYS30

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 59
ChainResidue
DGLU7
DARG42
DHOH88
DHOH163

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 60
ChainResidue
DILE18
DARG20
DLYS46
DHOH93

site_idBC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 D 61
ChainResidue
CLYS46
CSER47
CALA48
CGLU49
CHOH108
DTYR21
DSER47
DALA48

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 D 62
ChainResidue
DARG42
DHOH65
DHOH77
ELYS26

site_idCC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE HG D 63
ChainResidue
DLEU29
DCYS30

site_idCC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 E 59
ChainResidue
EGLU7
ELYS41
EARG42
EHOH111

site_idCC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 E 60
ChainResidue
AILE19
AHOH145
EILE18
EARG20
EHOH141

site_idCC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 E 61
ChainResidue
ALYS46
AHOH84
BTYR21
BALA48
ESER47
EALA48
EGLU49

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 E 62
ChainResidue
DLYS26
EARG42
EHOH69
EHOH180

site_idCC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE HG E 63
ChainResidue
ECYS30
EHOH100

Functional Information from PROSITE/UniProt
site_idPS00280
Number of Residues19
DetailsBPTI_KUNITZ_1 Pancreatic trypsin inhibitor (Kunitz) family signature. FvyGGCrakrnnFksaedC
ChainResidueDetails
APHE33-CYS51

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsSITE: Reactive bond for trypsin
ChainResidueDetails
ALYS15
BLYS15
CLYS15
DLYS15
ELYS15

219869

PDB entries from 2024-05-15

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