1WR6

crystal structure of gga3 gat domain in complex with ubiquitin

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 59
  • Norm. En. per Res.: -4.7585
• Hub Node: B(4)

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	-5.0728	-11.6696	-141.621	-158.3634	65	10	3	6372	3	37	26
A-E	-30.9638	-37.1848	-149.423	-217.5716	64	5	3	6433	1	30	21
B-C	-15.0093	24.1882	-166.481	-157.3021	66	12	4	7498	2	20	29
B-D	0.0	0.0	-0.0703	-0.0703	4	0	0	25	0	0	2
B-F	-28.0462	-90.6298	-143.752	-262.4281	56	2	2	6085	5	27	15
B-G	-3.9092	-1.8303	-46.1697	-51.9091	34	1	2	2121	1	6	3
C-D	-11.0368	-9.1274	-157.568	-177.7323	66	0	3	6102	6	34	27
C-F	-3.9848	-23.7869	-48.5656	-76.3373	29	4	0	1984	2	15	3
C-G	-15.1624	-46.6552	-157.025	-218.8426	63	7	3	6809	0	28	21
D-F	-4.6312	13.3431	-37.0686	-28.3567	20	4	0	1290	0	4	5
D-H	-43.1012	-95.7332	-141.917	-280.7514	59	9	3	6153	6	32	18

Interface residues

• A-B: ALA266A, ALA266B, ARG259A, ARG259B, ARG260A, ARG260B, ASN257A, ASN257B, ASN272A, ASN272B, ASN291B, ASP253A, ASP253B, ASP271A, ASP271B, ASP273A, ASP273B, ASP284A, ASP284B, GLN254A, GLN300B, GLU256A, GLU256B, GLU268A, GLU268B, GLU270A, GLU270B, GLU298B, GLY277A, GLY277B, GLY304B, ILE279A, ILE279B, ILE290A, ILE290B, ILE302B, LEU262A, LEU262B, LEU265A, LEU265B, LEU276A, LEU276B, LEU280A, LEU280B, LYS213A, LYS249A, LYS249B, LYS264A, LYS264B, LYS294A, LYS294B, PHE252A, PHE252B, PHE263A, PHE263B, SER267A, SER267B, SER283A, SER283B, SER287A, SER287B, THR261A, THR261B, THR269A, THR269B
• A-E: ALA46E, ARG214A, ARG226A, ARG245A, ARG42E, ARG72E, ASN222A, ASN223A, ASN224A, ASP239A, ASP242A, ASP244A, CYS255A, GLN254A, GLN40E, GLN41E, GLN49E, GLU219A, GLU220A, GLU230A, GLU246A, GLU250A, GLU51E, GLY10E, GLY243A, GLY47E, HIS216A, HIS234A, HIS68E, ILE44E, LEU215A, LEU227A, LEU228A, LEU232A, LEU233A, LEU247A, LEU251A, LEU43E, LEU50E, LEU67E, LEU69E, LEU71E, LEU8E, LYS11E, LYS258A, LYS27E, LYS48E, LYS6E, PHE252A, PHE45E, SER229A, SER236A, SER240A, SER241A, THR12E, THR217A, THR7E, THR9E, TYR235A, TYR59E, VAL211A, VAL221A, VAL225A, VAL70E
• B-C: ALA266C, ALA282C, ARG214C, ARG226B, ARG260C, ARG288B, ASN222B, ASN223B, ASN223C, ASN274C, ASN285B, ASN291B, ASN303B, ASP239B, ASP271C, ASP273C, ASP278C, ASP284B, GLN237B, GLN281B, GLN300B, GLU219C, GLU220C, GLU230B, GLU238B, GLU268C, GLU270C, GLY277C, HIS216C, HIS234B, ILE279C, ILE290B, ILE296B, ILE297B, ILE302B, LEU215C, LEU218C, LEU228B, LEU232B, LEU233B, LEU262C, LEU265C, LEU276C, LEU280C, LYS213C, LYS264C, LYS294B, PHE263C, SER229B, SER236B, SER240B, SER267C, SER275C, SER287B, SER292B, THR212C, THR217C, THR261C, THR269C, THR295B, TYR235B, TYR293B, VAL221C, VAL225B, VAL289B, VAL301B
• B-D: ARG226B, ARG260D, ARG288B, SER267D
• B-F: ALA46F, ARG226B, ARG245B, ARG42F, ARG72F, ASN222B, ASN223B, ASN224B, ASP239B, ASP242B, ASP244B, ASP253B, GLN254B, GLN49F, GLU219B, GLU220B, GLU230B, GLU246B, GLU250B, GLU51F, GLY10F, GLY243B, GLY47F, HIS234B, HIS68F, ILE44F, LEU227B, LEU228B, LEU232B, LEU233B, LEU247B, LEU251B, LEU43F, LEU50F, LEU69F, LEU71F, LEU73F, LEU8F, LYS11F, LYS249B, LYS258B, LYS48F, LYS6F, PHE45F, SER229B, SER236B, SER240B, SER241B, THR217B, THR66F, THR7F, THR9F, TYR235B, VAL221B, VAL225B, VAL70F
• B-G: ARG245B, ARG72G, ASN303B, GLN237B, GLN300B, GLN40G, GLN41G, GLU238B, GLU298B, GLU34G, GLY10G, GLY299B, GLY35G, ILE13G, ILE296B, ILE297B, ILE302B, ILE36G, LEU69G, LEU71G, LEU8G, LYS11G, LYS294B, LYS6G, PRO37G, SER236B, SER292B, THR12G, THR295B, THR7G, THR9G, TYR235B, TYR293B, VAL301B
• C-D: ALA266C, ALA266D, ARG259C, ARG259D, ARG260C, ARG260D, ASN257C, ASN257D, ASN272C, ASN272D, ASN274C, ASN291C, ASN291D, ASP253C, ASP253D, ASP271C, ASP271D, ASP273C, ASP273D, ASP284C, ASP284D, CYS255C, GLN300D, GLU256C, GLU256D, GLU268C, GLU268D, GLU270C, GLU270D, GLU298D, GLY277C, GLY277D, ILE279C, ILE279D, ILE290C, ILE290D, LEU262C, LEU262D, LEU265C, LEU265D, LEU276C, LEU276D, LEU280C, LEU280D, LYS249C, LYS249D, LYS264C, LYS264D, LYS294C, LYS294D, PHE252C, PHE252D, PHE263C, PHE263D, SER267C, SER267D, SER283C, SER283D, SER287C, SER287D, THR212C, THR261C, THR261D, THR269C, THR269D, TYR293D
• C-F: ALA46F, ASN272C, ASN274C, ASN60F, ASP271C, ASP273C, ASP278C, ASP58F, GLN2F, GLN62F, GLU270C, GLU64F, GLY47F, HIS68F, ILE3F, ILE61F, LEU218C, LEU276C, LEU56F, LEU67F, LYS48F, LYS63F, LYS6F, PHE45F, PHE4F, SER275C, SER65F, THR66F, TYR59F
• C-G: ALA46G, ARG214C, ARG226C, ARG245C, ARG42G, ARG54G, ARG72G, ASN222C, ASN223C, ASN224C, ASP239C, ASP242C, ASP244C, GLN254C, GLN40G, GLN41G, GLN49G, GLU219C, GLU220C, GLU230C, GLU246C, GLU250C, GLU51G, GLY10G, GLY243C, GLY47G, HIS216C, HIS234C, HIS68G, ILE44G, LEU215C, LEU227C, LEU228C, LEU232C, LEU233C, LEU247C, LEU251C, LEU43G, LEU50G, LEU67G, LEU69G, LEU71G, LEU8G, LYS11G, LYS249C, LYS258C, LYS27G, LYS48G, LYS6G, PHE252C, PHE45G, SER229C, SER236C, SER240C, SER241C, THR217C, THR7G, THR9G, TYR235C, TYR59G, VAL221C, VAL225C, VAL70G
• D-F: ASN60F, GLN300D, GLN62F, GLU298D, GLU64F, GLY299D, ILE297D, ILE302D, ILE61F, LYS249D, LYS294D, LYS63F, MET1F, PHE252D, PHE45F, PHE4F, SER65F, THR295D, TYR293D, VAL301D
• D-H: ALA46H, ARG226D, ARG245D, ARG42H, ARG72H, ASN222D, ASN223D, ASN224D, ASP239D, ASP242D, ASP244D, ASP253D, CYS255D, GLN254D, GLN49H, GLU219D, GLU220D, GLU230D, GLU246D, GLU250D, GLU51H, GLY10H, GLY243D, GLY47H, HIS234D, HIS68H, ILE44H, LEU227D, LEU228D, LEU232D, LEU233D, LEU247D, LEU251D, LEU43H, LEU50H, LEU67H, LEU69H, LEU71H, LEU73H, LEU8H, LYS11H, LYS249D, LYS258D, LYS48H, LYS6H, PHE45H, SER229D, SER236D, SER240D, SER241D, THR217D, THR66H, THR7H, THR9H, TYR235D, TYR59H, VAL221D, VAL225D, VAL70H