3PC8

x-ray crystal structure of the heterodimeric complex of xrcc1 and dna ligase iii-alpha brct domains.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 58
  • Norm. En. per Res.: -5.263
• 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	0.0	0.0	-123.777	-123.777	61	2	1	5627	0	6	1
A-C	-47.4496	-86.4901	-171.313	-305.2528	58	9	4	6663	8	25	15
B-D	-27.2125	-40.4836	-172.071	-239.7671	54	8	5	6661	3	27	17

Interface residues

• A-B: ALA603A, ALA603B, ARG606A, ARG606B, ASN599A, ASN599B, ASP589A, ASP589B, GLN580A, GLN623A, GLN623B, GLN630A, GLN630B, GLU593A, GLU593B, GLU594A, GLU594B, GLY626A, GLY626B, HIS622A, HIS622B, LEU596A, LEU596B, LEU602A, LEU602B, LEU619A, LEU619B, LEU620A, LEU620B, LEU624A, LEU624B, LYS544A, LYS544B, LYS618A, LYS618B, MET597A, MET597B, PHE592A, PHE592B, PHE604A, PHE604B, PRO590A, PRO590B, PRO600A, PRO600B, PRO621A, PRO621B, PRO629A, PRO629B, SER601A, SER601B, TRP588A, TRP588B, TYR625A, TYR625B, VAL605A, VAL605B, VAL627A, VAL627B, VAL628A, VAL628B
• A-C: ALA566A, ALA874C, ARG558A, ARG559A, ARG562A, ARG855C, ARG867C, ARG869C, ARG870C, ARG914C, ARG916C, ASN568A, ASN614A, ASP539A, ASP573A, ASP849C, ASP876C, ASP878C, GLN617A, GLU536A, GLU542A, GLU570A, GLU572A, GLU615A, GLY569A, GLY853C, GLY877C, ILE561A, ILE850C, ILE909C, ILE913C, LEU537A, LEU560A, LEU571A, LEU847C, LEU848C, LEU868C, LEU879C, MET534A, PHE540A, PHE541A, PHE567A, PHE851C, PHE865C, PHE872C, PHE875C, PRO535A, PRO538A, SER866C, THR565A, THR852C, TRP910C, TYR563A, TYR871C, VAL564A, VAL846C, VAL854C, VAL873C
• B-D: ALA566B, ALA874D, ARG558B, ARG559B, ARG562B, ARG867D, ARG869D, ARG870D, ARG914D, ARG916D, ASN568B, ASN614B, ASP539B, ASP573B, ASP849D, ASP876D, ASP878D, GLN617B, GLN881D, GLU536B, GLU542B, GLU570B, GLU615B, GLY569B, GLY877D, ILE561B, ILE850D, ILE913D, LEU537B, LEU560B, LEU571B, LEU847D, LEU848D, LEU868D, LEU879D, LYS845D, LYS915D, PHE540B, PHE541B, PHE567B, PHE851D, PHE872D, PHE875D, PRO535B, PRO538B, SER866D, THR565B, THR852D, TRP910D, TYR563B, TYR871D, VAL564B, VAL846D, VAL873D