3I74

crystal structure of the plant subtilisin-like protease sbt3 in complex with a chloromethylketone inhibitor

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 114
  • Norm. En. per Res.: -3.7745
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-56.307	-31.0714	-342.916	-430.2945	114	28	18	13064	6	12	12
A-C	-24.4295	-58.0636	-38.7733	-121.2664	40	15	2	2622	2	9	9
B-D	-23.2643	-58.3694	16.2304	-65.4033	41	15	1	2683	3	9	9

Interface residues

• A-B: ALA364A, ALA364B, ALA366A, ALA366B, ALA417A, ALA417B, ALA421A, ALA421B, ALA518A, ALA518B, ARG210A, ARG210B, ARG365A, ARG365B, ARG369A, ARG369B, ARG412A, ARG412B, ARG416A, ARG416B, ARG418A, ARG418B, ASN396A, ASN396B, ASN439A, ASN439B, ASN515A, ASN515B, ASN524A, ASN524B, ASP530A, ASP530B, GLN175A, GLN175B, GLN469A, GLN469B, GLU395A, GLU395B, GLY522A, GLY522B, ILE413A, ILE413B, ILE414A, ILE414B, ILE521A, ILE521B, ILE525A, ILE525B, LEU419A, LEU419B, LEU526A, LEU526B, LEU527A, LEU527B, LYS420A, LYS420B, MET206A, MET206B, PHE234A, PHE234B, PHE362A, PHE362B, PHE367A, PHE367B, PHE468A, PHE468B, PHE517A, PHE517B, PRO363A, PRO363B, PRO394A, PRO394B, PRO438A, PRO438B, PRO440A, PRO440B, PRO513A, PRO513B, PRO514A, PRO514B, SER371A, SER371B, SER520A, SER520B, SER528A, SER528B, THR205A, THR205B, THR212A, THR212B, THR397A, THR397B, THR415A, THR415B, THR465A, THR465B, THR467A, THR467B, THR519A, THR519B, THR523A, THR523B, THR529A, THR529B, TRP148A, TRP148B, TYR512A, TYR512B, TYR531A, TYR531B, VAL368A, VAL368B, VAL516A, VAL516B
• A-C: ARG288A, ARG318A, ASN258A, ASN317A, ASN326A, ASN327A, ASP144A, ASP211A, ASP213A, CYS219A, GLU3C, GLY214A, GLY216A, GLY260A, GLY286A, GLY316A, GLY536A, HIS215A, ILE283A, ILE290A, ILE297A, LEU266A, LYS4C, MET539A, PHE255A, PHE257A, PHE262A, PHE289A, PHE2C, SER145A, SER256A, SER284A, SER314A, SER538A, THR261A, THR263A, THR537A, TYR285A, TYR287A, TYR512A
• B-D: ALA296B, ARG288B, ARG318B, ASN258B, ASN317B, ASN326B, ASN327B, ASP144B, ASP211B, ASP213B, GLU3D, GLY214B, GLY216B, GLY260B, GLY286B, GLY316B, GLY536B, HIS215B, ILE283B, ILE290B, ILE297B, LEU266B, LYS4D, MET539B, PHE255B, PHE257B, PHE262B, PHE289B, PHE2D, SER145B, SER256B, SER284B, SER314B, SER538B, THR212B, THR261B, THR263B, THR537B, TYR285B, TYR287B, TYR512B