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【答案】应助回帖
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西瓜(金币+5, EPI+1): Good！ 2011-07-18 15:01:38
Classification: Oxidoreductase
Structure Weight: 65923.49
Molecule: Glucose oxidase
Polymer: 1 Type: polypeptide(L) Length: 583
Chains: A
EC#: 1.1.3.4
Discovery Studio：
Protein Report for 3QVP
--------------------------------------------------------------------------------
----------Information for Molecule 3QVP----------
Cell Space Group: 20 (C2221 Origin-1 Choice: 1) Parameters: 69.56 119.15 142.19 90.0 90.0 90.0
Crystallographic Resolution: 1 angstroms
Molecular Weight of Protein: 63043.9
Amino Acid Chain Names: A
Number of Amino Acid Residues: 581
Amino Acid Sequence from Available Structure
Chain A
GIEASLLTDP KDVSGRTVDY IIAGGGLTGL TTAARLTENP NISVLVIESG
SYESDRGPII EDLNAYGDIF GSSVDHAYET VELATNNQTA LIRSGNGLGG
STLVNGGTWT RPHKAQVDSW ETVFGNEGWN WDNVAAYSLQ AERARAPNAK
QIAAGHYFNA SCHGVNGTVH AGPRDTGDDY SPIVKALMSA VEDRGVPTKK
DFGCGDPHGV SMFPNTLHED QVRSDAAREW LLPNYQRPNL QVLTGQYVGK
VLLSQNGTTP RAVGVEFGTH KGNTHNVYAK HEVLLAAGSA VSPTILEYSG
IGMKSILEPL GIDTVVDLPV GLNLQDQTTA TVRSRITSAG AGQGQAAWFA
TFNETFGDYS EKAHELLNTK LEQWAEEAVA RGGFHNTTAL LIQYENYRDW
IVNHNVAYSE LFLDTAGVAS FDVWDLLPFT RGYVHILDKD PYLHHFAYDP
QYFLNELDLL GQAAATQLAR NISNSGAMQT YFAGETIPGD NLAYDADLSA
WTEYIPYHFR PNYHGVGTCS MMPKEMGGVV DNAARVYGVQ GLRVIDGSIP
PTQMSSHVMT VFYAMALKIS DAILEDYASM Q
Comparison of actual sequence versus PDB SEQRES records
Start of chain A appears to be missing - residues: SER ASN
Sequence of incomplete chains with missing residues in magenta
Chain A: SNGIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLTENPNISVLVIESGSYESDRGPIIEDLNAYGDIFGSSVDHAYETVELATNNQTALIRSGNGLGGSTLVNGGTWTRPHKAQVDSWETVFGNEGWNWDNVAAYSLQAERARAPNAKQIAAGHYFNASCHGVNGTVHAGPRDTGDDYSPIVKALMSAVEDRGVPTKKDFGCGDPHGVSMFPNTLHEDQVRSDAAREWLLPNYQRPNLQVLTGQYVGKVLLSQNGTTPRAVGVEFGTHKGNTHNVYAKHEVLLAAGSAVSPTILEYSGIGMKSILEPLGIDTVVDLPVGLNLQDQTTATVRSRITSAGAGQGQAAWFATFNETFGDYSEKAHELLNTKLEQWAEEAVARGGFHNTTALLIQYENYRDWIVNHNVAYSELFLDTAGVASFDVWDLLPFTRGYVHILDKDPYLHHFAYDPQYFLNELDLLGQAAATQLARNISNSGAMQTYFAGETIPGDNLAYDADLSAWTEYIPYHFRPNYHGVGTCSMMPKEMGGVVDNAARVYGVQGLRVIDGSIPPTQMSSHVMTVFYAMALKISDAILEDYASMQ
Active Sites
Active Site AC1: A:THR87 A:ASN89 A:ASN493 A:TYR509 A:NAG602
Active Site AC2: A:ARG337 A:THR488 A:GLY491 A:ASP492 A:NAG601 A:BMA613
Active Site AC3: A:ARG337 A:GLU487 A:NAG602 A:MAN615
Active Site AC4: A:GLU487 A:TYR496 A:BMA613 A:MAN616
Active Site AC5: A:GLU5 A:ALA6 A:GLY274 A:MAN615 A:GOL701
Active Site AC6: A:TYR159 A:ASN161 A:SER163 A:TYR539 A:GLY540 A:VAL541
Active Site AC7: A:ASN355 A:HIS366 A:VAL404 A:ASN405 A:ASN407
Active Site AC8: A:GLN142 A:ASN388 A:ALA391 A:ILE394 A:GLU527
Active Site AC9: A:GLY26 A:GLY28 A:LEU29 A:THR30 A:ILE49 A:GLU50 A:SER51 A:TYR68 A:HIS78 A:ARG95 A:GLY97 A:ASN98 A:GLY99 A:GLY102 A:SER103 A:ASN107 A:GLY108 A:GLY109 A:THR110 A:TYR249 A:VAL250 A:ALA288 A:ALA289 A:VAL293 A:TYR515 A:ASP548 A:GLY549 A:HIS559 A:VAL560 A:MET561 A HE564
Active Site BC1: A:GLY274 A:ASN275 A:THR276 A:MAN616
Active Site BC2: A:GLY359 A:ASP360 A:ASN473
Active Site BC3: A:HIS172 A:GLU221
Ligands/Ions
Name Formula
NAG601 C8 H15 N O5
NAG602 C8 H15 N O5
BMA613 C6 H12 O5
MAN615 C6 H12 O5
MAN616 C6 H12 O5
NAG603 C8 H15 N O5
NAG604 C8 H15 N O5
NAG605 C8 H15 N O5
FAD600 C27 H31 N9 O15 P2
GOL701 C3 H8 O3
PEG702 C4 H10 O3
CL703 Cl
Solvent
Number of Water Molecules: 1296
Biomolecule Generation
THE AUTHOR PROVIDED AND/OR PROGRAM
GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
BURIED SURFACE AREA.
To generate the biomolecule(s), use Structure/Superimpose/Apply Transformation Matrix:
BIOMOLECULE: 1
Apply matrix BIOMT_1 to chain(s): A
PDB Information
HEADER OXIDOREDUCTASE 25-FEB-11 3QVP
TITLE CRYSTAL STRUCTURE OF GLUCOSE OXIDASE FOR SPACE GROUP C2221 AT 1.2 A
TITLE 2 RESOLUTION
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GLUCOSE OXIDASE;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: BETA-D-GLUCOSE:OXYGEN 1-OXIDO-REDUCTASE, GLUCOSE OXYHYDRASE,
COMPND 5 GOD;
COMPND 6 EC: 1.1.3.4;
COMPND 7 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER;
SOURCE 3 ORGANISM_TAXID: 5061;
SOURCE 4 GENE: GOX
KEYWDS OXIDOREDUCTASE
EXPDTA X-RAY DIFFRACTION
2个结果不太一致，按PDB网站说的比较准确。
参考链接：
http://www.rcsb.org/pdb/explore/explore.do?structureId=3QVP |
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