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

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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 B:  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 B
residue 40
type
sequence R
description binding site for residue GOL B 401
source : AC3

2) chain B
residue 27
type
sequence L
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

3) chain B
residue 28
type
sequence N
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

4) chain B
residue 41
type
sequence H
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

5) chain B
residue 47
type
sequence T
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

6) chain B
residue 139
type
sequence F
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

7) chain B
residue 141
type
sequence N
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

8) chain B
residue 142
type
sequence G
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

9) chain B
residue 143
type
sequence A
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

10) chain B
residue 145
type
sequence G
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

11) chain B
residue 146
type
sequence S
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

12) chain B
residue 163
type
sequence H
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

13) chain B
residue 164
type
sequence Q
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

14) chain B
residue 165
type
sequence I
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

15) chain B
residue 166
type
sequence E
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

16) chain B
residue 187
type
sequence D
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

17) chain B
residue 188
type
sequence Q
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

18) chain B
residue 190
type
sequence S
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

19) chain B
residue 192
type
sequence Q
description binding site for Di-peptide D03 B 402 and CYS B 144
source : AC5

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

21) chain B
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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