Show PDB file:   
         Plain Text   HTML   (compressed file size)
QuickSearch:   
by PDB,NDB,UniProt,PROSITE Code or Search Term(s)  
(-)Asym./Biol. Unit
(-)Asym./Biol. Unit - sites
collapse expand < >
Image Asym./Biol. Unit
Asym./Biol. Unit  (Jmol Viewer)
Image Asym./Biol. Unit - sites
Asym./Biol. Unit - sites  (Jmol Viewer)

(-) Description

Title :  CRYSTAL STRUCTURE OF GADOLINIUM DERIVATIVE OF HEWL SOLVED USING FREE-ELECTRON LASER RADIATION
 
Authors :  L. Galli, T. R. M. Barends, S. -K. Son, T. A. White, A. Barty, S. Botha, S. B C. Caleman, R. B. Doak, M. H. Nanao, K. Nass, R. L. Shoeman, N. Timneanu, I. Schlichting, H. N. Chapman
Date :  23 Jun 15  (Deposition) - 08 Jul 15  (Release) - 09 Dec 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.90
Chains :  Asym./Biol. Unit :  A
Keywords :  Lysozyme, Xfel, Gadoteridol, Hydrolase (Keyword Search: [Gene Ontology, PubMed, Web (Google))
 
Reference :  L. Galli, S. K. Son, T. R. Barends, T. A. White, A. Barty, S. Botha, S. Boutet, C. Caleman, R. B. Doak, M. H. Nanao, K. Nass, R. L. Shoeman, N. Timneanu, R. Santra, I. Schlichting, H. N. Chapman
Towards Phasing Using High X-Ray Intensity.
Iucrj V. 2 627 2015
PubMed-ID: 26594370  |  Reference-DOI: 10.1107/S2052252515014049

(-) Compounds

Molecule 1 - LYSOZYME C
    ChainsA
    EC Number3.2.1.17
    FragmentRESIDUES 19-147
    Organism CommonCHICKEN
    Organism ScientificGALLUS GALLUS
    Organism Taxid9031
    Synonym1,4-BETA-N-ACETYLMURAMIDASE C,ALLERGEN GAL D IV

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 8)

Asymmetric/Biological Unit (3, 8)
No.NameCountTypeFull Name
1CL4Ligand/IonCHLORIDE ION
2DO32Ligand/Ion10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID
3GD2Ligand/IonGADOLINIUM ATOM

(-) Sites  (8, 8)

Asymmetric Unit (8, 8)
No.NameEvidenceResiduesDescription
1AC1SOFTWARETRP A:62 , ARG A:73 , ASN A:103 , ASP A:119 , DO3 A:202 , GD A:207 , HOH A:302binding site for residue DO3 A 201
2AC2SOFTWAREARG A:5 , GLY A:117 , TRP A:123 , DO3 A:201 , GD A:208 , HOH A:302binding site for residue DO3 A 202
3AC3SOFTWARETYR A:23 , ASN A:113binding site for residue CL A 203
4AC4SOFTWARESER A:24 , GLY A:26 , GLN A:121binding site for residue CL A 204
5AC5SOFTWAREASN A:65 , GLY A:67 , ARG A:68 , THR A:69 , SER A:72binding site for residue CL A 205
6AC6SOFTWAREASP A:87 , ILE A:88binding site for residue CL A 206
7AC7SOFTWAREDO3 A:201 , HOH A:302binding site for residue GD A 207
8AC8SOFTWAREDO3 A:202binding site for residue GD A 208

(-) SS Bonds  (4, 4)

Asymmetric/Biological Unit
No.Residues
1A:6 -A:127
2A:30 -A:115
3A:64 -A:80
4A:76 -A:94

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 5C6I)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5C6I)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5C6I)

(-) Exons   (0, 0)

(no "Exon" information available for 5C6I)

(-) Sequences/Alignments

Asymmetric/Biological Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it)
Chain A from PDB  Type:PROTEIN  Length:129
                                                                                                                                                                 
               SCOP domains --------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains --------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains --------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...hhhhhhhhhhhh...hhhhhhhhhhhhhhhhhhh.....eee.....eee....ee...................hhhhhhh..hhhhhhhhhhhhh..hhhhhhhhhhhhh...hhhhhh..... Sec.struct. author
                 SAPs(SNPs) --------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE --------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript --------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5c6i A   1 KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL 129
                                    10        20        30        40        50        60        70        80        90       100       110       120         

   Legend:   → Mismatch (orange background)
  - → Gap (green background, '-', border residues have a numbering label)
    → Modified Residue (blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
  x → Chemical Group (purple background, 'x', labelled with number + name, e.g. ACE or NH2)
  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 5C6I)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5C6I)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5C6I)

(-) Gene Ontology  (13, 13)

Asymmetric/Biological Unit(hide GO term definitions)

 Visualization

(-) Interactive Views

Asymmetric/Biological Unit
  Complete Structure
    Jena3D(integrated viewing of ligand, site, SAP, PROSITE, SCOP information)
    WebMol | AstexViewer[tm]@PDBe
(Java Applets, require no local installation except for Java; loading may be slow)
    STRAP
(Java WebStart application, automatic local installation, requires Java; full application with system access!)
    RasMol
(require local installation)
    Molscript (VRML)
(requires installation of a VRML viewer; select preferred view via VRML and generate a mono or stereo PDF format file)
 
  Ligands, Modified Residues, Ions
    CL  [ RasMol | Jena3D ]  +environment [ RasMol | Jena3D ]
    DO3  [ RasMol | Jena3D ]  +environment [ RasMol | Jena3D ]
    GD  [ RasMol | Jena3D ]  +environment [ RasMol | Jena3D ]
 
  Sites
    AC1  [ RasMol ]  +environment [ RasMol ]
    AC2  [ RasMol ]  +environment [ RasMol ]
    AC3  [ RasMol ]  +environment [ RasMol ]
    AC4  [ RasMol ]  +environment [ RasMol ]
    AC5  [ RasMol ]  +environment [ RasMol ]
    AC6  [ RasMol ]  +environment [ RasMol ]
    AC7  [ RasMol ]  +environment [ RasMol ]
    AC8  [ RasMol ]  +environment [ RasMol ]
 
  Cis Peptide Bonds
(no "Cis Peptide Bonds" information available for 5c6i)
 

(-) Still Images

Jmol
  protein: cartoon or spacefill or dots and stick; nucleic acid: cartoon and stick; ligands: spacefill; active site: stick
Molscript
  protein, nucleic acid: cartoon; ligands: spacefill; active site: ball and stick

 Databases and Analysis Tools

(-) Databases

Access by PDB/NDB ID
  5c6i
    Family and Domain InformationProDom | SYSTERS
    General Structural InformationGlycoscienceDB | MMDB | NDB | OCA | PDB | PDBe | PDBj | PDBsum | PDBWiki | PQS | PROTEOPEDIA
    Orientation in MembranesOPM
    Protein SurfaceSURFACE
    Secondary StructureDSSP (structure derived) | HSSP (homology derived)
    Structural GenomicsGeneCensus
    Structural NeighboursCE | VAST
    Structure ClassificationCATH | Dali | SCOP
    Validation and Original DataBMRB Data View | BMRB Restraints Grid | EDS | PROCHECK | RECOORD | WHAT_CHECK
 
Access by UniProt ID/Accession number
  LYSC_CHICK | P00698
    Comparative Protein Structure ModelsModBase
    Genomic InformationEnsembl
    Protein-protein InteractionDIP
    Sequence, Family and Domain InformationInterPro | Pfam | SMART | UniProtKB/SwissProt
 
Access by Enzyme Classificator   (EC Number)
  3.2.1.17
    General Enzyme InformationBRENDA | EC-PDB | Enzyme | IntEnz
    PathwayKEGG | MetaCyc
 
Access by Disease Identifier   (MIM ID)
  (no 'MIM ID' available)
    Disease InformationOMIM
 
Access by GenAge ID
  (no 'GenAge ID' available)
    Age Related InformationGenAge

(-) Analysis Tools

Access by PDB/NDB ID
    Domain InformationXDom
    Interatomic Contacts of Structural UnitsCSU
    Ligand-protein ContactsLPC
    Protein CavitiescastP
    Sequence and Secondary StructurePDBCartoon
    Structure AlignmentSTRAP(Java WebStart application, automatic local installation, requires Java; full application with system access!)
    Structure and Sequence BrowserSTING
 
Access by UniProt ID/Accession number
  LYSC_CHICK | P00698
    Protein Disorder PredictionDisEMBL | FoldIndex | GLOBPLOT (for more information see DisProt)

 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/Swiss-Prot
        LYSC_CHICK | P00698132l 193l 194l 1a2y 1aki 1at5 1at6 1azf 1b0d 1b2k 1bgi 1bhz 1bvk 1bvx 1bwh 1bwi 1bwj 1c08 1c10 1dpw 1dpx 1dqj 1e8l 1f0w 1f10 1f3j 1fdl 1flq 1flu 1flw 1fly 1fn5 1g7h 1g7i 1g7j 1g7l 1g7m 1gpq 1gwd 1gxv 1gxx 1h6m 1h87 1hc0 1hel 1hem 1hen 1heo 1hep 1heq 1her 1hew 1hf4 1hsw 1hsx 1ic4 1ic5 1ic7 1iee 1io5 1ioq 1ior 1ios 1iot 1ir7 1ir8 1ir9 1j1o 1j1p 1j1x 1ja2 1ja4 1ja6 1ja7 1jis 1jit 1jiy 1jj0 1jj1 1jj3 1jpo 1jto 1jtt 1kip 1kiq 1kir 1kxw 1kxx 1kxy 1lcn 1lj3 1lj4 1lje 1ljf 1ljg 1ljh 1lji 1ljj 1ljk 1lkr 1lks 1lma 1lpi 1lsa 1lsb 1lsc 1lsd 1lse 1lsf 1lsg 1lsm 1lsn 1lsy 1lsz 1lyo 1lys 1lyz 1lz8 1lz9 1lza 1lzb 1lzc 1lzd 1lze 1lzg 1lzh 1lzn 1lzt 1mel 1mlc 1n4f 1nby 1nbz 1ndg 1ndm 1p2c 1ps5 1qio 1qtk 1rcm 1rfp 1ri8 1rjc 1sf4 1sf6 1sf7 1sfb 1sfg 1sq2 1t3p 1t6v 1ua6 1uc0 1uco 1uia 1uib 1uic 1uid 1uie 1uif 1uig 1uih 1uuz 1v7s 1v7t 1vat 1vau 1vdp 1vdq 1vds 1vdt 1ved 1vfb 1w6z 1wtm 1wtn 1xei 1xej 1xek 1xfp 1xgp 1xgq 1xgr 1xgt 1xgu 1yik 1yil 1ykx 1yky 1ykz 1yl0 1yl1 1yqv 1z55 1zmy 1zv5 1zvh 1zvy 2a6u 2a7d 2a7f 2aub 2b5z 2blx 2bly 2bpu 2c8o 2c8p 2cds 2cgi 2d4i 2d4j 2d4k 2d6b 2d91 2dqc 2dqd 2dqe 2dqf 2dqg 2dqh 2dqi 2dqj 2eiz 2eks 2epe 2f2n 2f30 2f4a 2f4g 2fbb 2g4p 2g4q 2h9j 2h9k 2hfm 2hs7 2hs9 2hso 2htx 2hu1 2hu3 2hub 2i25 2i26 2i6z 2iff 2lym 2lyo 2lyz 2lzh 2lzt 2pc2 2q0m 2vb1 2w1l 2w1m 2w1x 2w1y 2war 2x0a 2xbr 2xbs 2xjw 2xth 2ybh 2ybi 2ybj 2ybl 2ybm 2ybn 2ydg 2yss 2yvb 2z12 2z18 2z19 2znw 2znx 2zq3 2zq4 2zyp 3a34 3a3q 3a3r 3a67 3a6b 3a6c 3a8z 3a90 3a91 3a92 3a93 3a94 3a95 3a96 3agg 3agh 3agi 3ajn 3atn 3ato 3aw6 3aw7 3az4 3az5 3az6 3az7 3b6l 3b72 3d9a 3e3d 3ems 3exd 3f6z 3g3a 3g3b 3hfm 3iju 3ijv 3j4g 3j6k 3kam 3lym 3lyo 3lyt 3lyz 3lzt 3m18 3m3u 3mbe 3n9a 3n9c 3n9e 3ojp 3ok0 3otp 3p4z 3p64 3p65 3p66 3p68 3qe8 3qng 3qy4 3rnx 3rt5 3ru5 3rw8 3rz4 3sp3 3t6u 3tmu 3tmv 3tmw 3tmx 3txb 3txd 3txe 3txf 3txg 3txh 3txi 3txj 3txk 3ulr 3w6a 3wl2 3wmk 3wpj 3wpk 3wpl 3wu7 3wu8 3wu9 3wua 3wul 3wum 3wun 3wvx 3wvy 3ww5 3ww6 3wxt 3wxu 3zek 3zvq 4a7d 4a8a 4a8b 4aga 4axt 4b0d 4b1a 4b49 4b4e 4b4i 4b4j 4bad 4baf 4bap 4bs7 4c3w 4cj2 4d9z 4dc4 4dd0 4dd1 4dd2 4dd3 4dd7 4dd9 4dda 4ddb 4ddc 4dt3 4e3u 4eof 4et8 4et9 4eta 4etb 4etc 4etd 4ete 4fjr 4g49 4g4b 4g4c 4g4h 4gcb 4gcc 4gcd 4gce 4gcf 4gla 4glv 4gn3 4gn4 4gn5 4h1p 4h8x 4h8y 4h8z 4h90 4h91 4h92 4h93 4h94 4h9a 4h9b 4h9c 4h9e 4h9f 4h9h 4h9i 4hp0 4hpi 4hsf 4htk 4htn 4htq 4hv1 4hv2 4i8s 4ias 4iat 4ii8 4j1a 4j1b 4j7v 4kxi 4lfp 4lfx 4lgk 4lt0 4lt1 4lt2 4lt3 4lyb 4lyc 4lym 4lyo 4lyt 4lyz 4lzt 4m4o 4m6d 4mr1 4n0j 4n1c 4n1e 4n5r 4n8z 4n9r 4neb 4nfv 4ng1 4ng8 4ngi 4ngj 4ngk 4ngl 4ngo 4ngv 4ngw 4ngy 4ngz 4nhi 4nhp 4nhq 4nhs 4nht 4nij 4nsg 4nsh 4nsi 4nsj 4nwe 4nwh 4ny5 4o34 4ooo 4oot 4owa 4owb 4owc 4owe 4owh 4p2e 4pgj 4phi 4ppo 4prq 4pru 4qeq 4qgz 4qy9 4r0f 4r6c 4rds 4rlm 4rln 4rw1 4rw2 4tsa 4tsb 4tsc 4ttd 4tun 4tws 4u3x 4uwn 4uwu 4uwv 4w94 4w96 4wg1 4wg7 4wl6 4wl7 4wld 4wlt 4wlx 4wly 4wm1 4wm2 4wm3 4wm4 4wm5 4wm6 4wmg 4wo6 4wo9 4woa 4x3b 4xad 4xen 4xjb 4xjd 4xjf 4xjg 4xjh 4xji 4xn6 4xyy 4yem 4yen 4yeo 4ym8 4yop 4z3m 4z41 4z46 4z98 4zee 4zfp 4zix 5a3e 5a3z 5amy 5apc 5apd 5ape 5apf 5b05 5b06 5b07 5b1f 5b1g 5b59 5b5j 5c6j 5c6l 5d5c 5d5f 5dl9 5dla 5dm9 5e4p 5e9r 5ebh 5f14 5f16 5f81 5f9u 5f9x 5fcp 5fdj 5fek 5fel 5fhw 5fst 5hll 5hmj 5hmv 5hnc 5hnl 5hq1 5i4w 5i4x 5i4y 5i53 5i54 5i5q 5idd 5iel 5ihg 5ii3 5ilc 5ilf 5j7c 5jen 5k2k 5k2n 5k2p 5k2q 5k2r 5k2s 5k7o 5kj9 5kki 5kkj 5kxk 5kxl 5kxm 5kxn 5kxo 5kxp 5kxr 5kxs 5kxt 5kxw 5kxx 5kxy 5kxz 5ky1 5l3h 5l3i 5l9j 5la5 5la8 5laf 5lag 5lin 5lio 5lvg 5lvh 5lvi 5lvj 5lxw 5lym 5lyt 5lyz 5m1y 5myy 5nbj 5ne0 5t3f 5tk0 5uvj 5v4g 5v4h 5v4i 6lyt 6lyz 7lyz 8lyz 9lyz

(-) Related Entries Specified in the PDB File

(no "Related Entries Specified in the PDB File" available for 5C6I)