1E3Ix65                       Protein:  Alcohol Dehydrogenase II

Alcohol Dehydrogenase

PDBid 1E3I

GENERAL INFORMATION
Title:  Mouse Class II Alcohol Dehydrogenase Complex with Inhibitor


Compound:

                                           Mole ID:  1
                                Molecule:  Alcohol Dehydrogenase, Class II B
                                EC :  1.1.1.1
                                Engineered:  yes

Experiment Method:

                                X-ray Diffraction

Classification:  Alcohol Dehydrogenase

Deposition Date in Protein Data Bank:  June 14, 2000

Release Date:  September 12, 2000

Related entries:

                                1E3E:  Mouse Class II Alcohol Dehydrogenase Complex with Nadh
                                1E3L:  P47H Mutant of Mouse Class II Alcohol Dehydrogenase Complex with Nadh

Classification:

SCOP:

        Lineage:

                1.  Root: scop
                2.  Class:  All beta proteins
                3.  Fold:  GroES-like
                4.  Superfamile:  GroES-like
                5.  Family:  Alcohol dehydrogenase-like, N-terminal domain
                6.  Protein:  Alcohol dehydrogenase
                7.  Species:  Mouse (MUS musculus), class II

        PDB Entry Domains:

                1.  1e3i
                      complexed with cxf, nad, zn
                            1.  region a:  1-174, a:  325-376

CATH:  4 related domains

        Domain/CATH code:

                1.  1e3iA2/3.40.50.720
                2.  1e3iB2/3.40.50.720
                3.  1e3iA1/3.90.180.10
                4.  1e3iB1/3.90.180.10

        CATH_wirplot.gif


Experiment Details:

        Resolution [Å]:  2.50
        R-Value:  0.197
        Space Group:  P212121
        Unit Cell:  dim [Å]:                a    79.16        b    80.64            c    102.76
                                        angles [°]:   alpha     beta    90.00   gamma    90.00


Structure Alignment - 1E3I:A Neighbors


Sequence alignment based on assembled pairwise structure alignments between 1E3I:A and its neighbors. Light color indicates not-aligned residues in structural neighbors. Position numbers according to sequence (starting from 1) and according to PDB are given as SSSS/PPPP, SSSS - sequence, PPPP - PDB. 

  1E3I:A    5/6     KVIKCKAAIAWKTG--SPLCIEEIEVSPPKACEVRIQVIATCVCPTDINATDPKKKA---
  1SDG:_    2/6     KPAAENLSLVVHGP--GDLRLENYPIPEPGPNEVLLKMHSVGICGSDVHYWQGRIGDFVV
  1BXZ:A    1/2     ----MKGFAMLSIG--K-VGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGAIGE--
  1QOR:B    2/3     ----ATRIEFHKHGGPEVLQAVEFTPADPAENEIQVENKAIGINFIDTYIRSGLYPPP--


  1E3I:A   60/61    LFPVVLGHECAGIVESVGPGVTNFKPGDKVIPFFAPQCKRCKLCLSPLTNLCGK----LR
  1SDG:_   60/61    KKPMVLGHEASGTVVKVGSLVRHLQPGDRVAIQPGAPRQTDEFCKIGRYNLSPT----IF
  1BXZ:A   52/53    RHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPAITPDWRTSEVQRG-YHQHSGGMLAG-
  1QOR:B   56/57    SLPSGLGTEAAGIVSKVGSGVKHIKAGDRVVYAQ--------------------------


  1E3I:A  116/117   NFKYPTIDQELMEDRTSRFTCKGRSIYHFMGV-----SSFSQYTVVSEA-NLARVDDE-A
  1SDG:_  116/117   FCA----T--------------------PPDD-----GNLCRFYKHNAN-FCYKLPDN-V
  1BXZ:A  110/111   -----------------------------WKFSNVKDGVFGEFFHVNDADMNLAHLPKEI
  1QOR:B   90/91    -----------------------------SAL-----GAYSSVHNIIAD-KAAILPAA-I


  1E3I:A  169/170   NLERVCLIGCGFSSGYGAAINTAKVTPGSTCAVFGL-GCVGLSAIIGCKIAGASRIIAID
  1SDG:_  145/166   TFEEGALI-EPLSVGIHACRR-AGVTLGNKVLVCGA-GPIGLVNLLAAKAMGAAQVVVTD
  1BXZ:A  141/142   PLEAAVMIPDMMTTGFHGA-ELADIELGATVAVLGI-GPVGLMAVAGAKLRGAGRIIAVG
  1QOR:B  114/115   SFEQAAASFLKGLTVYYLLRKTYEIKPDEQFLFHAAAGGVGLIACQWAKALGA-KLIGTV


  1E3I:A  228/229   INGEKFPKAKALGATDCLNPRELDKPVQDVITELT-AGGVDYSLDCAGTAQTLKAAVDCT
  1SDG:_  202/225   LSASRLSKAKEVGADFILEISNESPEEIAKKVEGL-LGSKPEVTIECTGVETSIQAGIYA
  1BXZ:A  199/200   SRPVCVDAAKYYGATDIVNYKDG--PIESQIMNLTEGKGVDAAIIAGGNADIMATAVKIV
  1QOR:B  173/174   GTAQKAQSALKAGAWQVINYREE--DLVERLKEITGGKKVRVVYDSV-GRDTWERSLDCL


  1E3I:A  287/288   VLGWGSCTVVGAKV--DEMTIPTVDV---I-LGRSINGTFFGGWK----SVDSVPNLVSD
  1SDG:_  261/284   THSGGTLVLVGLGSEMTSVPLVHA---------ATREVDIKGVFR----YCNTWPMAISM
  1BXZ:A  257/258   K-PGGTIANVNYFGEGEVLPVPRLEWGCGM-AHKTIKGGLC--PG----GRLRMERLIDL
  1QOR:B  230/231   Q-RRGLMVSFGNSSGAVTGVNLGILN---QKGSLYVTRPSLQGYITTREELTEASNELFS


  1E3I:A  337/338   YKNKKFDLDLLVTH--ALP-FESINDAIDLM--KEGKSIRTILTF
  1SDG:_  308/336   LASKSVNVKPLVTH--RFP-LEKALEAFETS--KKGLGLKVMIKC
  1BXZ:A  309/310   VFYKRVDPSKLVTH--VFRGFDNIEKAFMLMKDKPKDLIKPVVIL
  1QOR:B  286/287   LIASGVIKVD-VAEQQKYP-LKDAQRAHEILE-SRATQGSSLLIP
1SDG:_
1.5 21.1
341 7.5
1BXZ:A
2.2 27.0
330 7.2
2.4 23.6
326 -1.0
1QOR:B
2.6 19.6
311 7.0
2.7 21.2
307 -1.0
2.9 17.3
312 -1.0

1E3I:A 1SDG:_ 1BXZ:A
Each cell in distance matrix provides:
RMSD(Å) Sequence identity(%)
Length of alignment Z-score