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3D3X

Crystal structure of botulinum neurotoxin serotype E catalytic domain in complex with SNAP-25 substrate peptide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004222molecular_functionmetalloendopeptidase activity
A0006508biological_processproteolysis
A0008270molecular_functionzinc ion binding
B0004222molecular_functionmetalloendopeptidase activity
B0006508biological_processproteolysis
B0008270molecular_functionzinc ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NH2 D 184
ChainResidue
BASN242
DGLU183

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 428
ChainResidue
AHIS211
AHIS215
AGLU250
CARG180

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 891
ChainResidue
AARG401
APHE357
APRO397
AILE398

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 892
ChainResidue
AARG192
ALYS355
AHOH971

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 893
ChainResidue
AARG393
AHOH960
AHOH1001
BASP311
BALA312

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 894
ChainResidue
AHIS124
AGLY126
AASP127
AARG167
AHOH943
AHOH967
AHOH998

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 896
ChainResidue
AASN163
AMET171
ALYS224
AHOH921

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 897
ChainResidue
AASP195
AASN196
ASER197
AHOH911
BASN364

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 822
ChainResidue
BHIS211
BHIS215
BGLU250
DARG180

site_idBC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE SO4 B 890
ChainResidue
ASER59
BHIS124
BGLY126
BASP127
BLEU166
BARG167
BHOH927
BHOH981
BHOH992
BHOH994

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 895
ChainResidue
BSER162
BASN163
BMET171
BLYS224

site_idBC3
Number of Residues12
DetailsBINDING SITE FOR CHAIN C OF SNAP-25 SUBSTRATE PEPTIDE
ChainResidue
ATHR159
APHE191
ATHR208
AHIS211
AGLU212
AGLU250
AGLU335
AARG347
ATYR350
ATYR354
ATYR356
AZN428

site_idBC4
Number of Residues25
DetailsBINDING SITE FOR CHAIN D OF SNAP-25 SUBSTRATE PEPTIDE
ChainResidue
BGLU158
BTHR159
BASN160
BSER161
BPHE191
BTHR208
BHIS211
BGLU212
BILE240
BTHR241
BASN242
BTHR246
BGLU250
BGLU335
BARG347
BTYR350
BILE351
BGLY352
BGLN353
BTYR354
BTYR356
BZN822
BHOH901
DNH2184
DHOH230

Functional Information from PROSITE/UniProt
site_idPS00142
Number of Residues10
DetailsZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TLMHELIHSL
ChainResidueDetails
ATHR208-LEU217

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PDB entries from 2024-06-12

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