eF-site ID 4qwu-H
PDB Code 4qwu
Chain H

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Title yCP beta5-C52F mutant in complex with bortezomib
Classification HYDROLASE/HYDROLASE INHIBITOR
Compound Proteasome subunit alpha type-2
Source ORGANISM_COMMON: Baker's yeast; ORGANISM_SCIENTIFIC: Saccharomyces cerevisiae;
Sequence H:  TTIVGVKFNNGVVIAADTRSTQGPIVADKNCAKLHRISPK
IWCAGAGTAADTEAVTQLIGSNIELHSLYTSREPRVVSAL
QMLKQHLFKYQGHIGAYLIVAGVDPTGSHLFSIHAHGSTD
VGYYLSLGSGSLAAMAVLESHWKQDLTKEEAIKLASDAIQ
AGIWNDLGSGSNVDVCVMEIGKDAEYLRNYLTPNVREEKQ
KSYKFPRGTTAVLKESIVNICDIQEE
Description (1)  Proteasome subunit alpha type-2 (E.C.3.4.25.1), Proteasome subunit alpha type-3 (E.C.3.4.25.1), Proteasome subunit alpha type-4 (E.C.3.4.25.1), Proteasome subunit alpha type-5 (E.C.3.4.25.1), Proteasome subunit alpha type-6 (E.C.3.4.25.1), Probable proteasome subunit alpha type-7 (E.C.3.4.25.1), Proteasome subunit alpha type-1 (E.C.3.4.25.1), Proteasome subunit beta type-2 (E.C.3.4.25.1), Proteasome subunit beta type-3 (E.C.3.4.25.1), Proteasome subunit beta type-4 (E.C.3.4.25.1), Proteasome subunit beta type-5 (E.C.3.4.25.1), Proteasome subunit beta type-6 (E.C.3.4.25.1), Proteasome subunit beta type-7 (E.C.3.4.25.1), Proteasome subunit beta type-1 (E.C.3.4.25.1)


Functional site

1) chain H
residue 69
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE CL G 302
source : AC2

2) chain H
residue 1
type
ligand
sequence T
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

3) chain H
residue 20
type
ligand
sequence S
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

4) chain H
residue 21
type
ligand
sequence T
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

5) chain H
residue 45
type
ligand
sequence G
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

6) chain H
residue 47
type
ligand
sequence G
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

7) chain H
residue 48
type
ligand
sequence T
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

8) chain H
residue 49
type
ligand
sequence A
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

9) chain H
residue 52
type
ligand
sequence T
description BINDING SITE FOR RESIDUE BO2 H 301
source : AC3

10) chain H
residue 114
type
ligand
sequence H
description BINDING SITE FOR RESIDUE BO2 N 201
source : AC7

11) chain H
residue 118
type
ligand
sequence S
description BINDING SITE FOR RESIDUE BO2 N 201
source : AC7

12) chain H
residue 1
type ACT_SITE
ligand
sequence T
description Nucleophile. {ECO:0000269|PubMed:9087403}.
source Swiss-Prot : SWS_FT_FI1

13) chain H
residue 1
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence T
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

14) chain H
residue 19-22
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence RSTQ
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

15) chain H
residue 27
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence A
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

16) chain H
residue 31
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence C
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

17) chain H
residue 33
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence K
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

18) chain H
residue 45-50
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence GAGTAA
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

19) chain H
residue 52
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence T
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

20) chain H
residue 129
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence S
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

21) chain H
residue 168
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence G
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_H_301

22) chain H
residue 114
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence H
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_N_201

23) chain H
residue 118
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence S
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_N_201

24) chain H
residue 120
type binding
ligand BO2: N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
sequence D
description N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE binding site
source pdb_hetatom : BO2_4qwu_N_201


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