1XEV

crystal structure of human carbonic anhydrase ii in a new crystal form

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 52
  • Norm. En. per Res.: -2.3056
• 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	-25.9382	-8.2521	-85.699	-119.8893	52	5	0	3988	2	31	22
A-C	-7.1635	-5.5095	-54.4835	-67.1565	56	3	0	2767	1	23	28
B-C	0.0	1.3293	-0.7316	0.5978	5	0	0	143	0	1	1
B-D	0.0	-3.6464	-43.1685	-46.8149	57	1	0	2652	0	22	29
C-D	-3.2306	-13.1221	-43.0867	-59.4393	56	1	0	2307	2	33	31

Interface residues

• A-B: ALA153B, ARG182B, ASN11A, ASN178B, ASP180B, ASP190B, ASP19A, ASP52B, CB4.14322-22.57762, CB4.4238715.97653, GLN53B, GLU14A, GLU187B, GLU214B, GLY12A, GLY156B, GLY183B, HIS10A, HIS15A, HIS17A, HIS3A, HIS3A5, HIS4A, ILE216B, LEU184B, LEU185B, LEU189B, LEU212B, LEU47B, LYS154B, LYS159B, LYS18A, LYS24A, LYS9A, PHE179B, PHE20A, PRO13A, PRO155B, PRO181B, PRO186B, PRO21A, PRO46B, SER152B, SER188B, SER217B, SER48B, SER50B, TRP16A, TRP5A, TYR51B, VAL218B, VAL49B
• A-C: ALA134A, ARG254A, ARG254C, ARG27A, ARG27C, ASN124A, ASN124C, ASN253A, ASN253C, ASP139A, ASP139C, ASP41A, ASP41C, ASP85A, ASP85C, GLN136A, GLN137A, GLN137C, GLN255A, GLN255C, GLU205A, GLU205C, GLU26A, GLU26C, GLY129A, GLY25A, GLY25C, GLY86A, GLY86C, ILE22A, LEU251A, LEU44A, LEU84C, LYS127A, LYS127C, LYS133A, LYS252A, LYS252C, LYS257A, LYS257C, LYS39C, LYS45A, LYS45C, PRO138A, PRO138C, PRO195A, PRO195C, PRO42C, SER43A, SER43C, THR125A, THR125C, THR87C, TYR128A, TYR128C, TYR88C
• B-C: LEU44B, LYS133C, LYS45B, PRO42B, PRO46B
• B-D: ALA134B, ALA134D, ARG254B, ARG254D, ARG27B, ARG27D, ASN253B, ASN253D, ASP139B, ASP139D, ASP41B, ASP41D, ASP85B, ASP85D, GLN136B, GLN136D, GLN137B, GLN137D, GLN255B, GLN255D, GLU205B, GLU205D, GLU26B, GLU26D, GLY129B, GLY25B, GLY25D, GLY86B, GLY86D, ILE22B, ILE22D, LEU251B, LEU44B, LEU44D, LYS127B, LYS127D, LYS133B, LYS133D, LYS252B, LYS252D, LYS257B, LYS257D, LYS39B, LYS39D, LYS45B, LYS45D, PRO138B, PRO138D, PRO195B, PRO195D, PRO42B, PRO42D, SER43B, SER43D, THR125B, TYR128B, TYR128D
• C-D: ALA174C, ALA38D, ARG58C, ASN62C, ASN67C, ASP110D, ASP130C, ASP175C, ASP190D, ASP32D, ASP34D, ASP71C, ASP72C, GLN92C, GLU187D, GLU234C, GLU236C, GLU69C, GLY132C, GLY171C, GLY233C, GLY235C, GLY6C, HIS36D, HIS3C, HIS4C, HIS64C, ILE91C, LEU57C, LEU60C, LYS111D, LYS112D, LYS133C, LYS149D, LYS170C, LYS172C, LYS213D, LYS261D, LYS39D, PHE131C, PHE20C, PHE260D, PHE70C, PRO201C, PRO215D, PRO42D, SER173C, SER259D, SER2C, THR35D, THR37D, TRP192D, TRP5C, TYR114D, TYR40D, VAL109D