eF-site ID 6fv2-A
PDB Code 6fv2
Chain A

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Title Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Classification HYDROLASE
Compound 3C-like proteinase
Source (R1AB_CVHNL)
Sequence A:  SGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPR
HVIAPSTTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVT
MHGSVLRIKVSQSNVHTPKHVFKTLKPGDSFNILACYEGI
ASGVFGVNLRTNFTIKGSFINGACGSPGYNVRNDGTVEFC
YLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVESANLML
SDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYT
SVSSVECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILG
YSSLCDEFTLAEVVKQMYGVN
Description


Functional site

1) chain A
residue 6
type
sequence M
description binding site for residue GOL A 401
source : AC1

2) chain A
residue 117
type
sequence Y
description binding site for residue GOL A 401
source : AC1

3) chain A
residue 122
type
sequence S
description binding site for residue GOL A 401
source : AC1

4) chain A
residue 138
type
sequence S
description binding site for residue GOL A 401
source : AC1

5) chain A
residue 295
type
sequence K
description binding site for residue GOL A 401
source : AC1

6) chain A
residue 26
type
sequence V
description binding site for residue D03 A 402
source : AC2

7) chain A
residue 41
type
sequence H
description binding site for residue D03 A 402
source : AC2

8) chain A
residue 51
type
sequence I
description binding site for residue D03 A 402
source : AC2

9) chain A
residue 53
type
sequence Y
description binding site for residue D03 A 402
source : AC2

10) chain A
residue 139
type
sequence F
description binding site for residue D03 A 402
source : AC2

11) chain A
residue 141
type
sequence N
description binding site for residue D03 A 402
source : AC2

12) chain A
residue 142
type
sequence G
description binding site for residue D03 A 402
source : AC2

13) chain A
residue 143
type
sequence A
description binding site for residue D03 A 402
source : AC2

14) chain A
residue 144
type
sequence C
description binding site for residue D03 A 402
source : AC2

15) chain A
residue 163
type
sequence H
description binding site for residue D03 A 402
source : AC2

16) chain A
residue 164
type
sequence Q
description binding site for residue D03 A 402
source : AC2

17) chain A
residue 165
type
sequence I
description binding site for residue D03 A 402
source : AC2

18) chain A
residue 166
type
sequence E
description binding site for residue D03 A 402
source : AC2

19) chain A
residue 187
type
sequence D
description binding site for residue D03 A 402
source : AC2

20) chain A
residue 188
type
sequence Q
description binding site for residue D03 A 402
source : AC2

21) chain A
residue 190
type
sequence S
description binding site for residue D03 A 402
source : AC2

22) chain A
residue 192
type
sequence Q
description binding site for residue D03 A 402
source : AC2

23) chain A
residue 224
type
sequence R
description binding site for residue GOL B 401
source : AC3

24) chain A
residue 41
type ACT_SITE
sequence H
description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
source Swiss-Prot : SWS_FT_FI1

25) chain A
residue 144
type ACT_SITE
sequence C
description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
source Swiss-Prot : SWS_FT_FI1


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