wwPDB validation report of PDB entry 1S1V

6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL

AZT DRUG RESISTANT HIV-1 RT MUTANT (RTMC) COMPLEXED WITH 1051U91

HIV-1 RT COMPLEXED WITH DMP-226 (EFAVIRENZ)

K103N MUTANT HIV-1 RT COMPLEXED WITH DMP-226 (EFAVIRENZ)

K103N MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

Y181C MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

Y181C MUTANT HIV-1 RT COMPLEXED WITH PETT-2

Y188C MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

Y188C MUTANT HIV-1 RT COMPLEXED WITH UC-781

Y181C MUTANT HIV-1 RT COMPLEXED WITH DMP-226 (EFAVIRENZ)

T215Y MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

T215Y MUTANT HIV-1 RT COMPLEXED WITH 1051U91

M184V MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

RTMN (M41L+T215Y MUTANT HIV-1 RT) COMPLEXED WITH NEVIRAPINE

RTMQ/M184V (M41L+D67N+K70R+M184V+T215Y MUTANT HIV-1 RT) COMPLEXED WITH NEVIRAPINE

L100I MUTANT HIV-1 RT COMPLEXED WITH UC-781

L100I MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

V106A MUTANT HIV-1 RT COMPLEXED WITH UC-781

V108I MUTANT HIV-1 RT COMPLEXED WITH NEVIRAPINE

THE STANDARD CRYSTALLOGRAPHIC RESIDUAL WAS USED AS TARGET FUNCTION IN THE FINAL ROUND OF REFINEMENT INCLUDING ALL THE REFLECTIONS INSTEAD OF THE MLF IN THE PREVIOUS ROUNDS OF REFINEMENT WITH CROSS-VALIDATION, WHICH RESULTED IN THE R-FACTOR FOR ALL DATA BEING SMALLER THAN R-WORKING. DUE TO THE LOW RATIO BETWEEN THE NUMBER OF REFLECTIONS AND THE NUMBER OF PARAMETERS TO BE REFINED, POSITIONAL RESTRAINTS WERE APPLIED TO ALL ATOMS DISTANT FROM THE NNRTI-BINDING SITE(DEFINED AS ATOMS MORE THAN 25 ANGSTROM FROM THE CA ATOM OF TYR188) THROUGHOUT THE REFINEMENT.

Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with TNK-651

The largest off-origin peak in the Patterson function is 3.66% of the height of the origin peak. No significant pseudotranslation is detected.

structure factor analysis and validation

geometric validation package for ligand chemistry in protein x-ray structures

20191225.v01 (using entries in the PDB archive December 25th 2019)