2AIR

t-state active site of aspartate transcarbamylase:crystal structure of the carbamyl phosphate and l-alanosine ligated enzyme

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 63
  • Norm. En. per Res.: -3.9617
• Hub Node: B(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	-49.353	-9.3433	-192.244	-250.9403	66	12	5	7244	2	28	23
B-G	0.0	0.0	-0.0711	-0.0711	2	0	0	20	0	0	0
B-H	-104.5269	27.1977	-235.911	-313.2402	90	35	6	10453	0	22	18
G-H	-38.2752	-9.5915	-201.723	-249.5897	63	9	5	7256	2	27	23

Interface residues

• A-B: ALA111A, ALA112A, ALA115A, ALA118B, ALA89A, ARG102B, ARG113A, ARG128B, ARG167A, ASN111B, ASN113B, ASN126A, ASN132A, ASN13A, ASP129A, ASP14A, ASP200A, ASP90A, CYS109B, CYS114B, CYS138B, CYS141B, GLN108A, GLN133A, GLN174A, GLU109A, GLU117A, GLU119B, GLU142B, GLU144B, GLU204A, GLU50A, GLU86A, GLY110A, GLY130A, GLY85A, HIS106A, HIS117B, HIS170A, ILE10A, ILE115B, ILE12A, ILE92A, LEU114A, LEU88A, LYS137B, LYS139B, LYS143B, LYS84A, MET104A, PHE118A, PRO107A, PRO120B, SER112B, SER116B, SER11A, SER122B, SER124B, SER131A, THR116A, THR87A, THR91A, TYR140B, TYR165A, TYR197A, VAL121B
• B-G: LYS84G, SER112B
• B-H: ALA11B, ALA11H, ALA23B, ALA23H, ARG41B, ARG41H, ARG55B, ARG55H, ASN47B, ASN47H, ASN5H, ASP19B, ASP39B, ASP39H, ASP57B, ASP57H, GLN24B, GLN24H, GLN40B, GLN40H, GLN8B, GLN8H, GLU10B, GLU10H, GLU37B, GLU37H, GLU62B, GLU62H, GLY26B, GLY26H, GLY45B, GLY45H, HIS20B, ILE12B, ILE25B, ILE25H, ILE42B, ILE42H, ILE44B, ILE44H, ILE59B, ILE59H, ILE61B, ILE61H, LEU29B, LEU29H, LEU30B, LEU30H, LEU32B, LEU32H, LEU35B, LEU35H, LEU46B, LEU46H, LEU48B, LEU48H, LEU58B, LEU58H, LEU7B, LEU7H, LYS13B, LYS28B, LYS28H, LYS34B, LYS34H, LYS56B, LYS56H, LYS60B, LYS60H, LYS6B, LYS6H, PHE27B, PHE27H, PHE33B, PHE33H, PRO49B, PRO49H, SER31B, SER31H, SER50B, SER50H, THR36B, THR36H, THR38B, THR38H, THR43B, THR43H, VAL17B, VAL9B, VAL9H
• G-H: ALA111G, ALA112G, ALA115G, ALA118H, ALA89G, ARG113G, ARG128H, ARG167G, ASN111H, ASN113H, ASN126G, ASN132G, ASN13G, ASP129G, ASP14G, ASP200G, ASP90G, CYS114H, CYS138H, CYS141H, GLN108G, GLN133G, GLN174G, GLU109G, GLU117G, GLU119H, GLU142H, GLU144H, GLU204G, GLU50G, GLU86G, GLY110G, GLY130G, GLY85G, HIS106G, HIS117H, HIS170G, ILE10G, ILE115H, ILE12G, ILE92G, LEU114G, LEU88G, LYS137H, LYS139H, LYS143H, MET104G, PHE118G, PRO107G, PRO120H, SER112H, SER116H, SER11G, SER122H, SER124H, SER131G, THR116G, THR87G, THR91G, TYR140H, TYR165G, TYR197G, VAL121H