PDB entry 3avl
View 3avl on RCSB PDB site
Description: Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Deposited on
2011-03-05, released
2012-01-18
The last revision was dated
2013-06-19, with a file datestamp of
2013-06-14.
Experiment type: XRAY
Resolution: 1.88 Å
R-factor: 0.155
AEROSPACI score: 0.52
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: integrase
Species: Human immunodeficiency virus type 1 [TaxId:11698]
Gene: gag-pol
Database cross-references and differences (RAF-indexed):
- Uniprot P12497
- engineered mutation (109)
- engineered mutation (155)
- Chain 'B':
Compound: integrase
Species: Human immunodeficiency virus type 1 [TaxId:11698]
Gene: gag-pol
Database cross-references and differences (RAF-indexed):
- Uniprot P12497
- engineered mutation (109)
- engineered mutation (155)
- Chain 'E':
Compound: LEDGF peptide
Species: HOMO SAPIENS, synthetic [TaxId:9606]
Database cross-references and differences (RAF-indexed):
- Chain 'F':
Compound: LEDGF peptide
Species: HOMO SAPIENS, synthetic [TaxId:9606]
Database cross-references and differences (RAF-indexed):
- Heterogens: SO4, CL, ACY, HOH
PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.
- Chain 'A':
Sequence, based on SEQRES records:
>3avlA (A:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke
Sequence, based on observed residues (ATOM records):
>3avlA (A:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq
- Chain 'B':
Sequence, based on SEQRES records:
>3avlB (B:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke
Sequence, based on observed residues (ATOM records):
>3avlB (B:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq
- Chain 'E':
Sequence; same for both SEQRES and ATOM records:
>3avlE (E:)
atkidnld
- Chain 'F':
Sequence; same for both SEQRES and ATOM records:
>3avlF (F:)
atkidnld