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Table 2 The interacting residues between p97 and p37 determined by MM/GBSA

From: In silico prediction, characterization, docking studies and molecular dynamics simulation of human p97 in complex with p37 cofactor

Key residues of p37 UBX domain

Key residues of p97 N domain

Residue

Binding Free Energy (kcal/mol)

Residue

Binding Free Energy (kcal/mol)

PHE(304)

-5.77

PHE(52)

-7.46

LEU(269)

-4.52

TYR(110)

-4.21

LEU(322)

-3.45

ARG(53)

-3.17

VAL(325)

-3.74

PRO(106)

-2.86

GLN(260)

-2.18

TYR(143)

-2.72

ASN(306)

-1.41

ARG(262)

-2.13

ARG(262)

-1.28

ILE(70)

-1.48

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BMC Molecular and Cell Biology

ISSN: 2661-8850

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