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

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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 C:  SGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPR
HVIAPSTTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVT
MHGSVLRIKVSQSNVHTPKHVFKTLKPGDSFNILACYEGI
ASGVFGVNLRTNFTIKGSFINGACGSPGYNVRNDGTVEFC
YLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVESANLML
SDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYT
SVSSVECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILG
YSSLCDEFTLAEVVKQMYG
Description (1)  Replicase polyprotein 1ab (E.C.3.4.19.12,3.4.22.69,3.4.22.-,2.7.7.48,3.6.4.12,3.6.4.13,2.1.1.-,3.1.13.-,3.1.-.-)


Functional site

1) chain C
residue 5
type
sequence K
description binding site for residue GOL C 401
source : AC4

2) chain C
residue 6
type
sequence M
description binding site for residue GOL C 401
source : AC4

3) chain C
residue 8
type
sequence Q
description binding site for residue GOL C 401
source : AC4

4) chain C
residue 110
type
sequence S
description binding site for residue GOL C 401
source : AC4

5) chain C
residue 111
type
sequence F
description binding site for residue GOL C 401
source : AC4

6) chain C
residue 112
type
sequence N
description binding site for residue GOL C 401
source : AC4

7) chain C
residue 126
type
sequence G
description binding site for residue GOL C 401
source : AC4

8) chain C
residue 150
type
sequence N
description binding site for residue GOL C 401
source : AC4

9) chain C
residue 292
type
sequence E
description binding site for residue GOL C 401
source : AC4

10) chain C
residue 26
type
sequence V
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

11) chain C
residue 27
type
sequence L
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

12) chain C
residue 28
type
sequence N
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

13) chain C
residue 41
type
sequence H
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

14) chain C
residue 47
type
sequence T
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

15) chain C
residue 51
type
sequence I
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

16) chain C
residue 53
type
sequence Y
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

17) chain C
residue 139
type
sequence F
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

18) chain C
residue 140
type
sequence I
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

19) chain C
residue 141
type
sequence N
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

20) chain C
residue 142
type
sequence G
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

21) chain C
residue 143
type
sequence A
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

22) chain C
residue 145
type
sequence G
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

23) chain C
residue 146
type
sequence S
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

24) chain C
residue 163
type
sequence H
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

25) chain C
residue 164
type
sequence Q
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

26) chain C
residue 165
type
sequence I
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

27) chain C
residue 166
type
sequence E
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

28) chain C
residue 187
type
sequence D
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

29) chain C
residue 190
type
sequence S
description binding site for Di-peptide D03 C 402 and CYS C 144
source : AC6

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

31) chain C
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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