PDB entry 1p9u

View 1p9u on RCSB PDB site
Description: Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Class: hydrolase
Keywords: SARS-CoV, HCoV, CORONAVIRUS, TGEV
Deposited on 2003-05-12, released 2003-05-20
The last revision prior to the SCOP 1.73 freeze date was dated 2003-06-24, with a file datestamp of 2007-06-04.
Experiment type: XRAY
Resolution: 2.37 Å
R-factor: 0.191
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: putative coronavirus nsp2 (3CL-PRO)
    Species: Transmissible gastroenteritis virus
    Gene: ORF1a
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d1p9ua_
  • Chain 'B':
    Compound: putative coronavirus nsp2 (3CL-PRO)
    Species: Transmissible gastroenteritis virus
    Gene: ORF1a
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d1p9ub_
  • Chain 'C':
    Compound: putative coronavirus nsp2 (3CL-PRO)
    Species: Transmissible gastroenteritis virus
    Gene: ORF1a
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d1p9uc_
  • Chain 'D':
    Compound: putative coronavirus nsp2 (3CL-PRO)
    Species: Transmissible gastroenteritis virus
    Gene: ORF1a
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d1p9ud_
  • Chain 'E':
    Compound: putative coronavirus nsp2 (3CL-PRO)
    Species: Transmissible gastroenteritis virus
    Gene: ORF1a
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d1p9ue_
  • Chain 'F':
    Compound: putative coronavirus nsp2 (3CL-PRO)
    Species: Transmissible gastroenteritis virus
    Gene: ORF1a
    Database cross-references and differences (RAF-indexed): Domains in SCOP 1.73: d1p9uf_
  • Chain 'G':
    Compound: Inhibitor (substrate-analog: CH2-QLTSNV-Z)
    Species: synthetic, synthetic
  • Chain 'H':
    Compound: Inhibitor (substrate-analog: CH2-QLTSNV-Z)
    Species: synthetic, synthetic
  • Heterogens: SO4, CH2, MRD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >1p9uA (A:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
lq

    Sequence, based on observed residues (ATOM records): (download) 
    >1p9uA (A:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >1p9uB (B:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
lq

    Sequence, based on observed residues (ATOM records): (download) 
    >1p9uB (B:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >1p9uC (C:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
lq

    Sequence, based on observed residues (ATOM records): (download) 
    >1p9uC (C:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >1p9uD (D:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
lq

    Sequence, based on observed residues (ATOM records): (download) 
    >1p9uD (D:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
l

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >1p9uE (E:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
lq

    Sequence, based on observed residues (ATOM records): (download) 
    >1p9uE (E:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygv

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >1p9uF (F:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn
lq

    Sequence, based on observed residues (ATOM records): (download) 
    >1p9uF (F:)
sglrkmaqpsglvepcivrvsygnnvlnglwlgdevicprhviasdttrvinyenemssv
rlhnfsvsknnvflgvvsarykgvnlvlkvnqvnpntpehkfksikagesfnilacyegc
pgsvygvnmrsqgtikgsfiagtcgsvgyvlengilyfvymhhlelgngshvgsnfegem
yggyedqpsmqlegtnvmssdnvvaflyaalingerwfvtntsmslesyntwaktnsfte
lsstdafsmlaaktgqsveklldsivrlnkgfggrtilsygslcdeftptevirqmygvn

  • Chain 'G':
    No sequence available.

  • Chain 'H':
    No sequence available.