3GLB

crystal structure of the effector binding domain of a catm variant (r156h)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 125
  • Norm. En. per Res.: -3.9177
• Hub Node: A(3)

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	-20.6601	-80.5736	-308.552	-409.7857	123	19	15	13900	8	26	28
A-C	-5.5811	2.8576	-117.503	-120.2266	78	4	1	5473	0	18	14
A-D	0.0	0.0	-3.7384	-3.7384	9	2	0	259	0	3	4
C-D	-42.1502	-98.2143	-349.354	-489.7185	125	24	16	14718	5	26	32

Interface residues

• A-B: ALA230A, ALA230B, ALA235A, ALA235B, ALA236A, ALA236B, ALA247A, ALA247B, ARG113A, ARG113B, ARG225A, ARG225B, ARG299B, ASN254A, ASN254B, ASP249A, ASP249B, CYS126A, CYS126B, GLN114A, GLN114B, GLN228A, GLN228B, GLU107A, GLU107B, GLU122A, GLU122B, GLU125A, GLU125B, GLU226A, GLU226B, GLU238A, GLU238B, GLY103A, GLY103B, GLY232A, GLY232B, GLY237A, GLY237B, GLY239A, GLY239B, GLY251A, GLY251B, HIS120A, HIS120B, HIS169A, HIS169B, HIS171A, HIS171B, HIS172A, HIS172B, HIS296A, HIS296B, ILE108A, ILE108B, ILE109A, ILE109B, ILE119A, ILE121A, ILE121B, ILE124A, ILE124B, ILE224A, ILE224B, ILE227A, ILE227B, ILE250A, ILE250B, ILE94A, LEU100A, LEU100B, LEU101A, LEU101B, LEU104A, LEU104B, LEU105A, LEU105B, LEU111A, LEU111B, LEU123A, LEU123B, LEU229A, LEU229B, LEU231A, LEU231B, LEU233A, LEU233B, LEU255A, LEU255B, LYS170A, LYS170B, LYS220A, LYS220B, LYS253A, LYS253B, MET248A, MET248B, PHE112A, PRO106A, PRO106B, PRO300B, SER246A, SER246B, SER98A, SER98B, SER99A, SER99B, THR222B, THR295B, TYR102A, TYR102B, TYR110A, TYR110B, TYR96A, TYR96B, VAL234A, VAL234B, VAL252A, VAL252B, VAL292A, VAL292B, VAL97A, VAL97B
• A-C: ALA178C, ALA179C, ALA204A, ALA245C, ALA247C, ALA294C, ARG146A, ARG299C, ASN175C, ASN202A, ASP151A, ASP189A, ASP249C, ASP262A, ASP263A, GLN163C, GLN186A, GLN199A, GLN208A, GLN290C, GLU107C, GLU162C, GLU213A, GLU291C, GLY215A, GLY251C, HIS183A, HIS296C, HIS297C, ILE132A, ILE149A, ILE188A, ILE207A, ILE250C, ILE258C, ILE260C, ILE298C, LEU147A, LEU166C, LEU184A, LEU210A, LEU214A, LEU216A, LEU255C, LEU256C, LEU261A, LYS129A, LYS136A, LYS148A, LYS165C, LYS170C, LYS200A, MET248C, PHE177C, PHE203A, PHE206A, PHE211A, PHE293C, PRO152A, PRO201A, PRO218A, PRO244C, PRO259C, PRO300C, SER185A, SER209A, SER246C, THR128A, THR150A, THR180C, THR205A, THR212A, THR295C, TYR257C, VAL182A, VAL217A, VAL252C, VAL292C
• A-D: ASN254D, GLN199A, GLN208A, HIS171D, LYS170D, LYS200A, LYS253D, THR205A, THR212A
• C-D: ALA230C, ALA230D, ALA235C, ALA235D, ALA236C, ALA236D, ALA245C, ALA245D, ALA247C, ALA247D, ARG113C, ARG113D, ARG225C, ARG225D, ASN254C, ASN254D, ASP249C, ASP249D, GLN114C, GLN114D, GLN228C, GLN228D, GLU107C, GLU107D, GLU122C, GLU122D, GLU125C, GLU125D, GLU226C, GLU226D, GLU238C, GLU238D, GLY103C, GLY103D, GLY232C, GLY232D, GLY237C, GLY237D, GLY239C, GLY239D, GLY251C, GLY251D, HIS120C, HIS120D, HIS169C, HIS169D, HIS171C, HIS171D, HIS172C, HIS172D, HIS296C, HIS296D, ILE108C, ILE108D, ILE109C, ILE109D, ILE121C, ILE121D, ILE124C, ILE124D, ILE224C, ILE224D, ILE227C, ILE227D, ILE250C, ILE250D, ILE94C, ILE94D, LEU100C, LEU100D, LEU101C, LEU101D, LEU104C, LEU104D, LEU105C, LEU105D, LEU111C, LEU111D, LEU123C, LEU123D, LEU193C, LEU193D, LEU229C, LEU229D, LEU231C, LEU231D, LEU233C, LEU233D, LEU255C, LEU255D, LYS170C, LYS170D, LYS220D, LYS253C, LYS253D, MET248C, MET248D, PHE112C, PHE112D, PRO106C, PRO106D, PRO191C, SER246C, SER246D, SER98C, SER98D, SER99C, SER99D, THR222C, THR222D, THR295D, TYR102C, TYR102D, TYR110C, TYR110D, TYR96C, TYR96D, VAL234C, VAL234D, VAL252C, VAL252D, VAL292C, VAL292D, VAL97C, VAL97D