2NN1

structure of inhibitor binding to carbonic anhydrase i

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -1.8048
• Hub Node: A(1)

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	-9.938	-77.4593	-85.8622	-173.2594	96	3	3	4520	6	27	28

Interface residues

• A-B: ALA126A, ALA126B, ALA132A, ALA132B, ALA134A, ALA134B, ALA135A, ALA135B, ALA138B, ARG173A, ARG173B, ARG76A, ARG89A, ARG89B, ASN124A, ASN124B, ASN61A, ASN61B, ASN69A, ASN69B, ASN73A, ASN73B, ASP4A, ASP4B, ASP72A, ASP72B, GLN92A, GLN92B, GLU133A, GLU133B, GLU205B, GLU58A, GLU58B, GLU71A, GLU71B, GLY171A, GLY171B, GLY63A, GLY63B, HIS64A, HIS67A, HIS67B, ILE22A, ILE22B, ILE59A, ILE60A, ILE60B, LEU131A, LEU131B, LEU19A, LEU19B, LEU203A, LYS127A, LYS127B, LYS137A, LYS137B, LYS170A, LYS170B, LYS18A, LYS18B, LYS57A, LYS57B, PHE70A, PHE91A, PHE91B, PRO201A, PRO201B, PRO202A, PRO202B, PRO21A, PRO21B, PRO3A, SER125A, SER125B, SER129A, SER129B, SER130A, SER130B, SER136A, SER136B, SER17A, SER17B, TRP123A, TRP123B, TRP16A, TRP16B, TRP5A, TYR128A, TYR128B, TYR204A, TYR204B, TYR20A, TYR20B, VAL233A, VAL62A, VAL62B