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4K06

Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol

Functional Information from GO Data
ChainGOidnamespacecontents
A0004623molecular_functionphospholipase A2 activity
A0005509molecular_functioncalcium ion binding
A0005543molecular_functionphospholipid binding
A0005576cellular_componentextracellular region
A0006644biological_processphospholipid metabolic process
A0016042biological_processlipid catabolic process
A0035821biological_processmodulation of process of another organism
A0042130biological_processnegative regulation of T cell proliferation
A0042742biological_processdefense response to bacterium
A0047498molecular_functioncalcium-dependent phospholipase A2 activity
A0050482biological_processarachidonic acid secretion
A0090729molecular_functiontoxin activity
B0004623molecular_functionphospholipase A2 activity
B0005509molecular_functioncalcium ion binding
B0005543molecular_functionphospholipid binding
B0005576cellular_componentextracellular region
B0006644biological_processphospholipid metabolic process
B0016042biological_processlipid catabolic process
B0035821biological_processmodulation of process of another organism
B0042130biological_processnegative regulation of T cell proliferation
B0042742biological_processdefense response to bacterium
B0047498molecular_functioncalcium-dependent phospholipase A2 activity
B0050482biological_processarachidonic acid secretion
B0090729molecular_functiontoxin activity
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PGE A 201
ChainResidue
ALEU2
AGLY6
APRO19
ATYR23
AGLY24

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 202
ChainResidue
AHOH329
AHOH355
BLYS36
BHOH397
ATHR82
AILE105
AARG108
AHOH307

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 203
ChainResidue
AGLY34
AARG35
ALYS57
AHOH366
AHOH372
AHOH396

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 204
ChainResidue
ALYS116
AARG119

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PE4 B 201
ChainResidue
BLYS7
BLEU10
BGLN11
BTYR75
BTRP77
B7PE204

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 202
ChainResidue
BGLY15
BLYS16
BASN17
BHOH399
BHOH427

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 203
ChainResidue
BTHR59
BLYS115
BARG118
BHOH380
BHOH403
BHOH418

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 7PE B 204
ChainResidue
APRO125
BLEU2
BGLY6
BLEU10
BPRO18
BTYR22
BPE4201
BHOH377
BHOH413
BHOH414
BHOH422
BHOH428

Functional Information from PROSITE/UniProt
site_idPS00118
Number of Residues8
DetailsPA2_HIS Phospholipase A2 histidine active site. CCYvHKcC
ChainResidueDetails
ACYS45-CYS52

site_idPS00119
Number of Residues11
DetailsPA2_ASP Phospholipase A2 aspartic acid active site. LCECDKAVaIC
ChainResidueDetails
ALEU96-CYS106

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsSITE: Important residue of the cationic membrane-docking site (MDoS) => ECO:0000269|PubMed:24145104
ChainResidueDetails
ALYS116
AARG119
BLYS115
BARG118

site_idSWS_FT_FI2
Number of Residues4
DetailsSITE: Hydrophobic membrane-disruption site (MDiS) => ECO:0000269|PubMed:24145104
ChainResidueDetails
ALEU122
APHE126
BLEU121
BPHE125

site_idSWS_FT_FI3
Number of Residues4
DetailsSITE: Cationic membrane-docking site (MDoS) => ECO:0000269|PubMed:24145104
ChainResidueDetails
ALYS123
ALYS130
BLYS122
BLYS129

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PDB entries from 2024-07-10

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