PDB entry 3e90

View 3e90 on RCSB PDB site
Description: West Nile vi rus NS2B-NS3protease in complexed with inhibitor Naph-KKR-H
Class: hydrolase
Keywords: West Nile virus, NS3 protease, trypsin-like serine protease, protease inhibitor, crystal structure, catalytic histidine, induced fit, ATP-binding, Capsid protein, Helicase, Hydrolase, Nucleotide-binding, RNA replication, Transmembrane, Virion
Deposited on 2008-08-21, released 2009-01-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-05-26, with a file datestamp of 2009-05-22.
Experiment type: XRAY
Resolution: 2.45 Å
R-factor: 0.197
AEROSPACI score: 0.35 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: NS2B cofactor
    Species: West Nile virus [TaxId:11082]
    Gene: NS2B-NS3PROTEASE
    Database cross-references and differences (RAF-indexed):
    • PDB 3E90 (Start-49)
    Domains in SCOPe 2.06: d3e90a_
  • Chain 'B':
    Compound: NS3 protease
    Species: West Nile virus [TaxId:11082]
    Gene: NS2B-NS3PROTEASE
    Database cross-references and differences (RAF-indexed):
    • PDB 3E90
    Domains in SCOPe 2.06: d3e90b_
  • Chain 'C':
    Compound: NS2B cofactor
    Species: West Nile virus [TaxId:11082]
    Gene: NS2B-NS3PROTEASE
    Database cross-references and differences (RAF-indexed):
    • PDB 3E90
    Domains in SCOPe 2.06: d3e90c_
  • Chain 'D':
    Compound: NS3 protease
    Species: West Nile virus [TaxId:11082]
    Gene: NS2B-NS3PROTEASE
    Database cross-references and differences (RAF-indexed):
    • PDB 3E90
    Domains in SCOPe 2.06: d3e90d_
  • Heterogens: NKK, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3e90A (A:)
mgtdmwiertadiswesdaeitgsservdvrldddgnfqlmndpgagggg

    Sequence, based on observed residues (ATOM records): (download) 
    >3e90A (A:)
dmwiertadiswesdaeitgsservdvrldddgnfqlmndpgagggg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3e90B (B:)
sgggggvlwdtpspkeykkgdtttgvyrimtrgllgsyqagagvmvegvfhtlwhttkga
almsgegrldpywgsvkedrlcyggpwklqhkwngqdevqmivvepgknvknvrtkpgvf
ktpegeigavtldfptgtsgspivdkngdviglygngvimpngsyisaivqgkrmdepip
agfepemlgsrshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3e90B (B:)
gggvlwdtkeykkgdtttgvyrimtrgllgsyqagagvmvegvfhtlwhttkgaalmsge
grldpywgsvkedrlcyggpwklqhkwngqdevqmivvepgknvknvrtkpgvfktpege
igavtldfptgtsgspivdkngdviglygngvimpngsyisaivqgkrmdepi

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3e90C (C:)
mgtdmwiertadiswesdaeitgsservdvrldddgnfqlmndpgagggg

    Sequence, based on observed residues (ATOM records): (download) 
    >3e90C (C:)
gtdmwiertadiswesdaeitgsservdvrldddgnfqlmn

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3e90D (D:)
sgggggvlwdtpspkeykkgdtttgvyrimtrgllgsyqagagvmvegvfhtlwhttkga
almsgegrldpywgsvkedrlcyggpwklqhkwngqdevqmivvepgknvknvrtkpgvf
ktpegeigavtldfptgtsgspivdkngdviglygngvimpngsyisaivqgkrmdepip
agfepemlgsrshhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3e90D (D:)
ggvlwykkgdtttgvyrimtrgllgsyqagagvmvegvfhtlwhttkgaalmsgegrldp
ywgsvkedrlcyggpwklqhkwngqdevqmivvepgknvknvrtkpgvfktpegeigavt
ldfptgtsgspivdkngdviglygngvimpngsyisaivqgkrmdep