2FO5

crystal structure of recombinant barley cysteine endoprotease b isoform 2 (ep-b2) in complex with leupeptin

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 33
  • Norm. En. per Res.: -3.2737
• Hub Node: A(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	0.0	0.0	-85.4075	-85.4075	55	0	1	3678	0	7	10
A-C	-33.0832	10.4578	-106.743	-129.3684	51	7	1	3895	0	3	15
A-E	-29.5702	0.0	-78.461	-108.0312	33	6	4	2853	0	0	0
A-G	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	0
B-F	-18.7534	0.0	-80.6172	-99.3706	34	4	4	2908	0	0	0
C-D	-23.855	-11.8899	-142.408	-178.1529	72	9	0	6513	2	11	14
C-E	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	0	0
C-G	-20.1128	0.0	-79.5849	-99.6977	34	3	4	2891	0	0	0
C-H	0.0	0.0	-0.0691	-0.0691	2	0	0	21	0	0	0
D-H	-19.8222	0.0	-82.743	-102.5652	35	4	4	2938	0	0	0

Interface residues

• A-B: ALA15A, ALA15B, ALA42A, ALA42B, ALA89A, ARG11A, ARG11B, ARG44A, ASN41A, ASP9B, GLN12A, GLN12B, GLN197B, GLU178B, GLU196B, GLY14A, GLY14B, GLY18B, GLY191B, GLY198B, GLY46A, GLY46B, HIS114A, ILE43A, LEU48A, LEU48B, LEU51A, LYS13A, LYS13B, LYS187B, LYS224A, PRO110A, PRO192B, SER193B, SER47A, SER47B, SER7B, THR17A, THR17B, THR185B, THR225A, THR45A, TRP10A, TRP10B, TRP194B, TYR199B, TYR226A, VAL111A, VAL112A, VAL113A, VAL16A, VAL16B, VAL172B, VAL19B, VAL49A
• A-C: ALA123A, ALA123C, ALA141A, ALA141C, ALA208A, ALA208C, ALA216A, ALA216C, ASN124A, ASN124C, ASP166A, ASP166C, CYS161A, CYS161C, CYS213A, CYS213C, GLU143A, GLU143C, GLU160A, GLU160C, GLU164A, GLU164C, GLU218A, GLU218C, GLY162A, GLY162C, GLY207A, GLY207C, GLY210A, GLY210C, GLY211A, GLY211C, GLY214A, GLY214C, LEU165A, LEU165C, LEU212A, LEU212C, MET217A, MET217C, PRO122A, PRO122C, SER125A, SER125C, SER206A, SER206C, SER209A, SER209C, THR163A, THR163C, VAL142C
• A-E: ALA141A, ALA144A, ALA30A, ASN64A, ASN74A, ASP166A, ASP63A, ASP65A, ASP73A, CYS28A, CYS67A, GLN68A, GLU143A, GLU164A, GLU218A, GLY168A, GLY26A, GLY66A, GLY69A, GLY70A, HIS167A, LEU165A, LEU300E, LEU301E, LEU71A, MET72A, SER139A, SER27A, SER32A, TRP29A, VAL140A, VAL142A, VAL169A
• A-G: LEU301G, SER209A
• B-F: ALA141B, ALA144B, ALA30B, ASN64B, ASN74B, ASP166B, ASP63B, ASP65B, ASP73B, CYS28B, CYS67B, GLN22B, GLN68B, GLU143B, GLU164B, GLU218B, GLY168B, GLY26B, GLY66B, GLY69B, GLY70B, HIS167B, LEU165B, LEU300F, LEU301F, LEU71B, MET72B, SER139B, SER27B, SER32B, TRP29B, VAL140B, VAL142B, VAL169B
• C-D: ALA103C, ALA105C, ALA106C, ALA144D, ALA90C, ALA95D, ALA96D, ARG104C, ARG94C, ARG94D, ARG97D, ASN101C, ASN108C, ASN188D, ASN81C, ASN82C, ASP166D, ASP21D, CYS100C, CYS25D, CYS28D, CYS59C, CYS67D, GLN107C, GLN22D, GLN68D, GLU143D, GLU164D, GLU55C, GLY146D, GLY168D, GLY191D, GLY195D, GLY23D, GLY26D, GLY83C, GLY84C, HIS114C, HIS167D, ILE79C, ILE86C, LEU165D, LEU56C, LEU85C, LYS147D, LYS20D, LYS24D, LYS80C, MET150D, PHE149D, PHE151D, PRO110C, PRO192D, SER109C, SER145D, SER153D, SER189D, SER193D, SER52C, THR87C, THR99C, TRP190D, TRP194D, TYR152D, TYR78C, TYR91C, TYR93D, VAL102C, VAL111C, VAL112C, VAL113C, VAL142D
• C-E: LEU301E, SER209C
• C-G: ALA141C, ALA144C, ALA30C, ASN64C, ASN74C, ASP166C, ASP63C, ASP65C, ASP73C, CYS28C, CYS67C, GLN22C, GLN68C, GLU143C, GLU164C, GLU218C, GLY168C, GLY26C, GLY66C, GLY69C, GLY70C, HIS167C, LEU165C, LEU300G, LEU301G, LEU71C, MET72C, SER139C, SER27C, SER32C, TRP29C, VAL140C, VAL142C, VAL169C
• C-H: GLN107C, LEU301H
• D-H: ALA141D, ALA144D, ALA30D, ASN64D, ASN74D, ASP166D, ASP63D, ASP65D, ASP73D, CYS28D, CYS67D, GLN22D, GLN68D, GLU143D, GLU164D, GLU218D, GLY168D, GLY26D, GLY66D, GLY69D, GLY70D, HIS167D, LEU165D, LEU300H, LEU301H, LEU71D, MET72D, SER139D, SER27D, SER32D, THR33D, TRP29D, VAL140D, VAL142D, VAL169D