DynDom - Protein Domain Motions

Penicillin-Binding Protein 2A

(All numbering and residues are taken from first PDB file)

Run Details Domains Sequence Morph Domain Pairs Contact Graph

DynDom run details

Property	Value
Name	Penicillin-Binding Protein 2A
Conformer 1 (PDB)	1mwr (A)
Conformer 2 (PDB)	4cjn (A)
Window Length	5
Minimum ratio	1.0
Minimum domain size	20

Domains

Domain	Size	Backbone RMSD (A)	Residues
1	492	0.68	71 - 74 143 - 299 313 - 666
2	113	0.43	29 - 70 75 - 142 300 - 312

Sequence

`__________________________________________70__74_________________________________________________________________142____` `1mwr(A) : DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVE-tERPIKIYNSLGVKDINIQDRKIKK------rVDAQYKIKTNYGNIDRNVQFNFVKEDG-wKLDWDHSVIIPG-qKDQSIHIEN` `:` `4cjn(A) : DKEINNTIDAIEDKNFKQVYKDSSYISKSDNGEVEMTERPIKIYNSLGVKDINIQDRKIKKVSKNKKRVDAQYKIKTNYGNIDRNVQFNFVKEDGMWKLDWDHSVIIPGMQKDQSIHIEN` `__________________________________________70__74_________________________________________________________________142____` `________________________________________________________________________________________________________________________` `1mwr(A) : LKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQ-dQNWVQDDTFVPLKTVKK-dEYLSDFAKKFHLTTNETESRNYPLEKATSHLLGYVGPINSEELKQ` `:` `4cjn(A) : LKSERGKILDRNNVELANTGTAYEIGIVPKNVSKKDYKAIAKELSISEDYIKQQMDQNWVQDDTFVPLKTVKKMDEYLSDFAKKFHLTTNETESRNYPLGKATSHLLGYVGPINSEELKQ` `________________________________________________________________________________________________________________________` `______________________________299__________312__________________________________________________________________________` `1mwr(A) : KEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDD-sNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNN-kNDYGSGTAIHPQTGELLALVSTPSYDVYPF-yG-sNEEYNKLTED` `:` `4cjn(A) : KEYKGYKDDAVIGKKGLEKLYDKKLQHEDGYRVTIVDDNSNTIAHTLIEKKKKDGKDIQLTIDAKVQKSIYNNMKNDYGSGTAIHPQTGELLALVSTPSYDVYPFMYGMSNEEYNKLTED` `______________________________299__________312__________________________________________________________________________` `________________________________________________________________________________________________________________________` `1mwr(A) : KKEPLLNKFQITTSPGSTQKILTA-iGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKG-kKLGVGEDIPSDYPFYNAQI---` `:` `4cjn(A) : KKEPLLNKFQITTSPGSTQKILTAMIGLNNKTLDDKTSYKIDGKGWQKDKSWGGYNVTRYEVVNGNIDLKQAIESSDNIFFARVALELGSKKFEKGMKKLGVGEDIPSDYPFYNAQISNK` `________________________________________________________________________________________________________________________` `________________________________________________________________________________________________________________________` `1mwr(A) :` `-lDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDG-qQVVNKTHKEDIYRSYANLIGKSGTAELK-------rQIGWFISYDKDNPN` `:` `4cjn(A) :` `NLDNEILLADSGYGQGEILINPVQILSIYSALENNGNINAPHLLKDTKNKVWKKNIISKENINLLTDGMQQVVNKTHKEDIYRSYANLIGKSGTAELKMKQGETGRQIGWFISYDKDNPN` `________________________________________________________________________________________________________________________` `__________________________________________` `1mwr(A) :` `---aINVKDVQDKG-aSYNAKISGKVYDELYENGNKKYDIDE` `:` `4cjn(A) :` `MMMAINVKDVQDKGMASYNAKISGKVYDELYENGNKKYDIDE` `__________________________________________`

Morph

This morph was created using the MorphIt_Pro protein morphing technique.
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Domain Pairs

Property	Value
Fixed Domain ( blue )	1
Moving Domain ( red )	2
Rotation Angle (deg)	7.6
Translation (A)	0.8
Closure (%)	97.1
Bending Residues ( green )	70 - 71 74 - 75 142 - 143 299 - 300 312 - 313
Bending Region Analysis

Dynamic Contact Graph

Conformer 1 Contact:
Residue 1 ———› Residue 2

Conformer 2 Contact:
Residue 2 ———› Residue 1

Movement classification: Mixed

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