wwPDB validation report of PDB entry 2VLE

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+

CYS302SER MUTANT OF HUMAN MITOCHONDRIAL ALDEHYDEDEHYDROGENASE COMPLEXED WITH NADH AND MG2+

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITHNAD+ IN THE PRESENCE OF LOW MG2+

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITHNADH IN THE PRESENCE OF LOW MG2+

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITHNAD+ AND MG2+ SHOWING DUAL NAD (H) CONFORMATIONS

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITHCROTONALDEHYDE, NAD(H) AND MG2+

CYS302SER MUTANT OF HUMAN MITOCHONDRIAL ALDEHYDEDEHYDROGENASE COMPLEXED WITH NAD+ AND MG2+

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITHNADH IN THE PRESENCE OF MG2+

APO FORM OF HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE

HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE ASIAN VARIANT,ALDH2*2, APO FORM

DAIDZIN (DZN): DAIDZIN - 7-O-GLUCOSYL-4'-HYDROXYISOFLAVONE
- IS A NATURALLY OCCURRING ISOFLAVONE EXTRACTED FROM THE
KUDZU VINE

TLS REFINEMENT WAS USED. EACH POLYPEPTIDE CHAIN WAS ASSIGNED TO A SEPARATE TLS GROUP WHEN REFINING TLS, THE OUTPUT PDB FILE ALWAYS HAS THE ANISOU RECORDS FOR THE ATOMS INVOLVED IN TLS GROUPS. THE ANISOTROPIC B-FACTOR IN ANISOU RECORDS IS THE TOTAL B-FACTOR (B_TLS + B_ INDIVIDUAL). THE ISOTROPIC EQUIVALENT B-FACTOR IN ATOM RECORDS IS THE MEAN OF THE TRACE OF THE ANISOU MATRIX DIVIDED BY 10000 AND MULTIPLIED BY 8*PI2 AND REPRESENTS THE ISOTROPIC EQUIVALENT OF THE TOTAL B-FACTOR (B_TLS + B_INDIVIDUAL). TO OBTAIN THE INDIVIDUAL B-FACTORS, ONE NEEDS TO COMPUTE THE TLS COMPONENT (B_TLS) USING THE TLS RECORDS IN THE PDB FILE HEADER AND THEN SUBTRACT IT FROM THE TOTAL B-FACTORS (ON THE ANISOU RECORDS).
ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL (E.C.1.2.1.3)
The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase
The analyses of the Patterson function reveals a significant off-origin peak that is 61.63 % of the origin peak, indicating pseudo-translational symmetry. The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 1.2732e-05. The detected translational NCS is most likely also responsible for the elevated intensity ratio. See the relevant section of the logfile for more details.
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)