4/312015
`
`RCSB Protein Data Bank - RCSB PDB - 1FKB Structure Summary
`
`Summary 3D \/lew Sequence Annotations Seq. Smilarity 3D Smilartly Literature BioI. & Chern. Methods Unks
`
`ATOMIC STRUCTURE OF THE RAPAMYCIN HUMAN IMMUNOPHILIN
`FKBP-12 COMPLEX
`
`001:1 0.221 0/pdb1fkb/pdb
`
`Primary Citation
`
`Atomic Structure of the Rapamycin Human Immunophilin Fkbp-12 Complex
`
`Van Duyne, G.D.
`
`, Standaert, R.F.
`
`, Schreiber, S.L.
`
`, Clardy, J.
`
`1FKB
`
`Display Files
`Download Files
`" Down load Citation
`
`Biological Assembly
`
`Journal: (1991) J.Arn.Chem.Soc. 113: 7433
`
`PubMed ID is not available
`
`Molecular Description
`Classification:
`Isomerase
`Structure Weight: 12750.78
`Molecule:
`FK506 BINDING PROTEIN
`Polymer:
`1
`Type:
`Chains:
`A
`EC.:
`5.2.1.8
`Organism:
`Homo sapiens
`
`protein
`
`Length:
`
`107
`
`Gene Names:
`
`UniProtKB:
`
`~ Gene View for FKBP1A FKBP1 FKBP12
`
`~ Prolein Feature View
`
`I Search PDB
`
`I P62942
`
`Hide
`
`I
`
`I-
`•
`
`Hide
`
`3D View
`
`More Images ...
`
`stoichiometry: Monomer
`Biological assembly 1 assigned by authors
`Downloadable viewers:
`Simple Viewer
`Protein Workshop
`
`Kiosk Viewer
`
`MyPDB Personal Annotations Hide
`
`To save personal annotations, please
`login to your MyPDB account.
`
`Deposition Summary
`
`Hide
`
`standaert,
`Authors: Van Duyne, G.D.
`R.F.
`, Schreiber, S.L.
`Clardy, J.C.
`
`P82"2
`Moillc. Proces.ing
`
`I lIIaHf
`
`E.C.
`
`UPSI ••
`seop domaina
`PDBSI"'_
`Secalruc
`
`~ 1FKB.A
`iii
`
`lI'!!l!II!Ill,j!!!!!J <18.va"" """",ralO F.lSBP..1A
`I!!!
`
`1;2;1':-P ..... IIYIpnlIi'I= .. _ .
`
`,
`....tt- ,2........, OC l....l.... ~ -.
`
`,
`
`"
`
`- ~
`
`(
`
`Structure Validation
`
`View the full validation report
`
`Metric
`
`Clashscore
`
`Ramachandra n ou tli ers
`
`Sidechain ou t liers
`
`Worse
`I Percentile relative to all X-ray structures
`U Percentile relative to X-ray structu res of similar resolution
`
`Percentile Ran k s
`
`Value
`
`2
`
`0
`
`"""
`----
`
`: I = - 1.1%
`Better
`
`U
`
`1992-07-02
`Deposition:
`1993-10-31
`Release:
`Last Modified (REVDAT): 2009-02-24
`
`Revision History
`
`Hide
`
`Mouse over text for details
`
`2011-07-13
`Version format compliance
`
`Experimental Details
`
`Hide
`
`MolProbity Ramachandran Plot
`
`Download Ramachandran Plot PDF (from MolProbity
`
`)
`
`Source
`
`Polymer: 1
`
`Scientific Name:
`
`Homo sapiens
`
`Taxonomy
`
`Common Name:
`
`Human
`
`Ligand Chemical Component
`
`Identifier
`
`Formula
`
`Name
`
`View Interactions
`
`Hide
`
`Hide
`
`Method: X-RAY DIFFRACTION
`Exp. Data:
`N/A
`Resolution[Al:
`R-Value:
`R-Free:
`Space Group:
`Unit Cell:
`Length rAJ
`a = 45.42
`b=49.16
`c = 54.74
`
`1.70
`0.165 (work)
`n/a
`P21 21 21
`
`Angles !"l
`a = 90.00
`Ii = 90.00
`V = 90.00
`
`RAP
`Search
`Download
`
`6
`
`C51 H79 N 013 RAPAMYCIN IMMUNOSUPPRESSANT DRUG
`
`External Ligand Annotations
`
`http://www.rcsb.orglpdblexplore.do?structureld=1FKB
`
`"" l Ligand
`
`"~,
`!
`
`-
`
`ExplOrer
`
`J~
`
`1/2
`
`PAR-ZORT-000769
`
`NOVARTIS EXHIBIT 2043
`Par v Novartis, IPR 2016-00084
`Page 1 of 3
`
`

`
`4/312015
`
`Identifier
`
`RAP
`Search
`Download
`
`6
`
`RCSB Protein Data Bank - RCSB PDB - 1FKB Structure Summary
`
`Binding Affinity (Sequence Identity "!oJ
`
`EC50:
`IC50:
`Ki:
`Kd:
`Kd:
`
`30 nM (100)
`0.45 -1.6 nM (100)
`0.2 - 1 nM (100)
`0.2nM
`0.2nM
`
`- data from BindingDB
`- data from BindingDB
`- data from BindingDB
`- data from BindingMOAD
`- data from PDBbind
`
`External Domain Annotations
`
`• SCOP Classification v1.75: 1 Domain - data from SCOP
`• CATH Classification v3.5.0: 1 Domain - data from CATH
`• Pfam Classification: 1 Domain - data from Pfam
`• GO Terms: 59 Terms - data from GO
`
`Structural Biology Knowledgebase Data
`
`Information from the Structural Biology Knowledgebase
`
`• Models from the Protein Model Portal: 1 model
`• Related Biological Annotations: >24 annotations
`• Related Clones from PSI:Biology Materials Repository: 0 clones
`• Related Targets & Protocols from TargetTrack: 0 targets
`
`Hide
`
`Hide
`
`Data in orange boxes are gathered from external resources (when available).
`
`Reset Layout
`
`The RCSB PDS is funded by a grant from the National Science Foundation, the National Institutes of Health, and the US Department of Energy.
`
`http://www.rcsb.orglpdblexplore.do?structureld=1FKB
`
`212
`
`PAR-ZORT-000770
`
`NOVARTIS EXHIBIT 2043
`Par v Novartis, IPR 2016-00084
`Page 2 of 3
`
`

`
`IiiiIiiI
`
`•
`
`Itll" Or'
`
`lFKB
`
`~ D;opI.o.m •••
`.& DownIo.d ,;In ,
`.. 00""""-1 Cibtion •
`
`RCSB PDB Dep:>oiI. Seon:h.
`
`\fJouoize . ~. 1lownIo!!d. Loom . More .
`
`
`
`--,-"'-
`
`----ATOMIC STRUCTURE OF THE RAPAMYCIN HUMAN IMMUNOPHILIN FKBP 12
`
`COMPLEX
`
`Structure Deta ils 0
`
`", .. ~ . .ll-~r;' 51"
`
`~~ " I
`
`~ '. ..
`.
`..... ~~.~
`'.' .'
`:'. "''j( '
`
`~~~~. ~
`~ .
`
`Select Orie ntati on
`II
`
`II
`
`Select Display M<>de 0
`
`"'8 dill-
`
`J
`
`H a m "
`
`l o c at io n
`
`C l assif ication
`
`link Out
`
`d,' • . ! . !
`
`;"SCOP a'
`
`1 -
`
`'
`
`Doma i n A ss i gnme nt
`
`~~o
`.. 'K-.... _ ... __ ('''''.121. _ --.....~;"
`",0
`
`" "KB~O
`
`PDP 0
`
`" "KBAo
`'-..d, "dd '"'"'_ ., ""'"
`
`Tho . ",,", on "'" ' ... .. "",", on _
`
`" .. "". )0 •• _
`
`f..- doomOI ruucto~ '" 3 D , htip.//www.jmoI ..... o
`
`PAR-ZORT-000771
`
`NOVARTIS EXHIBIT 2043
`Par v Novartis, IPR 2016-00084
`Page 3 of 3