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3PA8

Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor

Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 621 B 300
ChainResidue
AASP71
BTRP218
BHOH299
BHOH358
BILE46
BGLY109
BHIS110
BGLY111
BCYS155
BGLU200
BVAL201
BARG202

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 621 A 300
ChainResidue
AGLU17
AGLU21
AILE46
AGLY109
AHIS110
AGLY111
ACYS155
AGLU200
AVAL201
AARG202
ATRP218
AHOH303
AHOH314
AHOH410

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 255
ChainResidue
AIHP257
AHOH260
BIHP256
BHOH258

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 256
ChainResidue
AARG208
ALYS221
AIHP257
AHOH262
AHOH274

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 255
ChainResidue
BARG209
BIHP256
BHOH259
BHOH305
BHOH308

site_idAC6
Number of Residues29
DetailsBINDING SITE FOR RESIDUE IHP B 256
ChainResidue
ACA255
AIHP257
AHOH260
BARG28
BARG32
BTYR34
BLEU54
BLYS57
BLYS104
BARG208
BARG209
BLYS221
BLYS232
BTYR234
BLYS249
BNA255
BHOH258
BHOH259
BHOH260
BHOH265
BHOH266
BHOH288
BHOH305
BHOH319
BHOH335
BHOH349
BHOH351
BHOH353
BHOH356

site_idAC7
Number of Residues29
DetailsBINDING SITE FOR RESIDUE IHP A 257
ChainResidue
AARG28
AARG32
ATYR34
ALEU54
ALYS57
ALYS104
AARG208
AARG209
ALYS221
ALYS232
ATYR234
ALYS249
ACA255
ANA256
AHOH260
AHOH262
AHOH270
AHOH291
AHOH293
AHOH295
AHOH318
AHOH336
AHOH345
AHOH358
AHOH359
AHOH412
AHOH417
BIHP256
BHOH258

222415

PDB entries from 2024-07-10

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