PDB ID: 4K4Q
Hetero Atom Contents
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Color scheme of protein:
Code | Name | Style | Show | Link | |
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06B | 3-bromo-2,6-dimethoxybenzoic acid | PoSSuM | |||
3TL | Benzyl [(1s,4s,7s,8r,9r,10s,13s,16s)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | PoSSuM | |||
BME | Beta-mercaptoethanol | PoSSuM | |||
DMS | Dimethyl sulfoxide | PoSSuM | |||
NO3 | Nitrate ion | PoSSuM |
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Download interaction data: 4K4Q
Structure summary
Code : | 4K4Q PDBj RCSB PDB PDBe | ||||||||||||
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Header : | HYDROLASE/HYDROLASE INHIBITOR | ||||||||||||
Title : | TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site | ||||||||||||
Release Data : | 2013-09-18 | ||||||||||||
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Authors : | Tiefenbrunn, T., Stout, C.D. | ||||||||||||
Keywords : | fragment binding, exosite, HYDROLASE-HYDROLASE INHIBITOR complex | ||||||||||||
Exp. method : | X-RAY DIFFRACTION ( 1.8000 Å ) | ||||||||||||
Citation : |
Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Tiefenbrunn, T.,Forli, S.,Happer, M.
et al.
PubMed: 23998903 |
Reaction
Chain : | A, B | ||||||||||||||||||||||||
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UniProt : | P12499 (POL_HV1Z2) | ||||||||||||||||||||||||
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