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BindProfX job id XBF1
User input structure and parameters:
Interface similarity cutoff: IS-score>0.50
Score to use for single point mutation: interface profile
Sequence [
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>A
FPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEAYIPKEQKYSFLQNPQTSLCFSESIPT
PSNREETQQKSNLELLRISLLLIQSWLEPVQFLRSVFANSLVYGASDSNVYDLLKDLEER
IQTLMGRLEGQIFKQTYSKFDTDALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGF
>B
PKFTKCRSPERETFSCHWTLGPIQLFYTRRNTQEWTQEWKECPDYVSAGENSCYFNSSFT
SIWIPYCIKLTSNGGTVDEKCFSVDEIVQPDPPIALNWTLLNGIHADIQVRWEAPRNADI
QKGWMVLEYELQYKEVNETKWKMMDPILTTSVPVYSLKVDKEYEVRVRSKQRNSGNYGEF
SEVLYVTLPQMS
View of 3D structure and mutaton sites:
complex structure [
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interface structure [
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Results:
Binding Affinity Change Upon Mutations [
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ΔΔG mutations
1.523 QA22D;
2.802 EB12Y;
4.026 HA18F,QA22D;
Interface Alignment [
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Interface residues: chain_ID_A: A
residue_A: 18 21 22 25 28 41 42 45 46 47 48 51 52 56 61 62 63 64 65 67 68 153 156 157 160 161 163 164 165 167 168 171 178
chain_ID_B: B
residue_B: 11 12 30 33 34 35 57 60 61 62 63 64 65 67 79 80 81 82 83 85 86 119 120 121 122 123 124 126 172 173 174 175
Alignments:
PDB chA chB ifResNum alnResNum score ifSeqA ifSeqB
target A B 65 65 1.000 HHQFYKYLQNPSLEPSNRETQYRKDKETFRICC RERQEWSTSIWIPCEKCFSDEDIQKGWVRNSG
3hhrAB A B 59 56 0.803 HHQFYKYLQ-P---PSNR-TQYRKDKETFRICC RE---W-TSIWIPCEKCFSDEDIQKGWMRNSG
3n0pAB A B 53 51 0.596 HAN--ITI---AN-PEDKEA-HRRHKDNYKLCC KEE-G-KTSMWRTI--Y-DTYDLKTGWTDH--
1f6fAB A B 48 45 0.566 NSK----V---I--PNSK-AI-HRSKYTYRICC KEE----TSIWKII--Y-DTYDVKTGWT-DH-
1bp3AB A B 61 56 0.503 HHQ--YKL-NPSL-PSNRETQYRKDKETFRICC KEEGTEK-SMW-T--EIYRTDDLKTGWTDH-Y
Reference:
Peng Xiong, Chengxin Zhang, Wei Zheng, Yang Zhang. BindProfX: predicting mutation-induced protein-protein binding affinity change using interface profiles. J Mol Biol. 429: 426-434, 2017.
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