2Y9X

crystal structure of ppo3, a tyrosinase from agaricus bisporus, in deoxy-form that contains additional unknown lectin-like subunit, with inhibitor tropolone

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 64
  • Norm. En. per Res.: -3.5422
• 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	-27.9915	211.7797	-129.424	54.3642	75	6	0	4392	0	34	87
A-E	-28.6907	-37.3154	-210.146	-276.1521	88	6	6	8408	3	20	17
A-F	0.0	22.6192	-67.7362	-45.117	38	0	2	2632	0	11	9
A-G	0.0	0.0	-16.3604	-16.3604	24	1	0	889	0	2	1
B-E	0.0	30.744	-77.7937	-47.0497	40	0	2	2874	0	11	9
B-F	-26.0144	-37.9323	-205.808	-269.7548	86	4	6	8231	3	20	16
B-H	-2.1944	0.0	-18.2898	-20.4842	25	1	0	952	0	2	1
C-D	-33.1199	189.5583	-116.173	40.2653	73	10	0	4246	0	35	86
C-E	-2.6754	0.0	-18.1809	-20.8563	27	3	0	1028	0	2	1
C-G	-37.9414	-38.22	-208.653	-284.8143	87	5	7	8389	4	20	16
C-H	-6.805	22.7312	-73.9068	-57.9806	38	5	2	2802	0	12	10
D-F	-2.6441	0.0	-16.5463	-19.1904	23	1	0	943	0	2	1
D-G	0.0	26.4969	-69.0152	-42.5183	37	3	2	2697	0	11	10
D-H	-45.1136	-36.5569	-215.371	-297.0416	85	6	7	8408	2	19	16
E-F	0.0	0.0	-1.061	-1.061	16	0	0	222	0	0	3
E-G	-50.8618	-22.135	-153.707	-226.7038	64	15	0	6021	2	12	13
E-H	0.0	0.0	-0.5297	-0.5297	6	0	0	77	0	0	0
F-G	0.0	0.0	-0.1448	-0.1448	6	0	0	36	0	0	0
F-H	-30.5319	-26.7897	-137.206	-194.5276	56	8	0	5600	2	12	12
G-H	0.0	0.0	-0.9858	-0.9858	16	0	0	221	0	0	3

Interface residues

• A-B: ASN346A, ASN346B, ASP312A, ASP312B, ASP336A, ASP336B, ASP348A, ASP348B, ASP353A, ASP353B, ASP354A, ASP354B, ASP357A, ASP357B, ASP3A, ASP3B, GLN347A, GLN347B, GLN351A, GLN351B, GLU335A, GLU335B, GLU356A, GLU356B, GLU359A, GLU359B, GLU377A, GLU377B, GLU378A, GLU378B, GLY373A, GLY373B, LYS345A, LYS345B, LYS372A, LYS372B, LYS374A, LYS374B, LYS376A, LYS376B, LYS379A, LYS379B, LYS4A, LYS4B, LYS5A, LYS5B, PRO338A, PRO338B, PRO349A, PRO349B, SER2A, SER2B, SER337A, SER337B, SER375A, SER375B, THR334A, THR334B, THR344A, THR344B, TRP350A, TRP350B, TYR311A, TYR311B, TYR314A, TYR314B, TYR343A, TYR343B, VAL313A, VAL313B, VAL315B, VAL371A, VAL371B, VAL381A, VAL381B
• A-E: ALA149E, ALA246A, ALA323A, ARG108E, ARG15E, ARG321A, ARG52E, ASN101E, ASN320A, ASN57E, ASP10E, ASP336A, ASP348A, ASP60E, GLN331A, GLN351A, GLN74A, GLU103E, GLU104E, GLU112E, GLU139E, GLU239A, GLU317A, GLU322A, GLU335A, GLU340A, GLU97E, GLY100E, GLY102E, GLY113E, GLY13E, GLY318A, GLY326A, GLY330A, GLY61E, HIS251A, HIS56E, HIS76A, ILE107E, ILE146E, ILE16E, ILE328A, ILE55E, ILE96E, LEU11E, LEU137E, LEU240A, LEU327A, LEU333A, LEU339A, LEU54E, LEU59E, LEU75A, LEU77A, LEU89A, LEU9E, LYS147E, LYS5A, LYS63E, LYS79A, MET319A, MET325A, PHE105E, PHE148E, PHE65E, PRO12E, PRO329A, PRO338A, PRO349A, SER2A, SER316A, SER337A, SER95E, SER99E, THR14E, THR237A, THR324A, THR334A, TRP106E, TRP53E, TYR343A, TYR58E, TYR62E, TYR78A, TYR98E, VAL150E, VAL332A, VAL88A
• A-F: ASN235A, ASN310A, ASN384A, ASN57F, ASP312A, ASP60F, ASP88F, CYS92F, GLN307A, GLN90F, GLU112F, GLU377A, GLU378A, GLU86F, GLY61F, GLY89F, HIS388A, LEU240A, LEU59F, LYS234A, LYS376A, LYS63F, LYS93F, MET309A, PHE87F, PRO110F, SER380A, THR233A, THR237A, THR308A, THR91F, TRP306A, TRP72F, TYR236A, TYR311A, TYR58F, VAL313A, VAL381A
• A-G: ALA246A, ALA250A, ALA50G, ARG321A, ASN24G, ASP273A, ASP42G, GLN127G, GLN43G, GLU322A, GLY128G, GLY47G, ILE40G, LEU275A, LEU38G, MET319A, PRO129G, PRO46G, SER44G, THR130G, THR45G, TRP22G, VAL247A, VAL248A
• B-E: ASN235B, ASN310B, ASN384B, ASN57E, ASP312B, ASP60E, ASP88E, CYS92E, GLN307B, GLN90E, GLU112E, GLU377B, GLU378B, GLU86E, GLY113E, GLY61E, GLY89E, HIS388B, LEU240B, LEU59E, LYS234B, LYS376B, LYS63E, LYS93E, MET309B, PHE229B, PHE87E, SER375B, SER380B, THR233B, THR237B, THR308B, THR91E, TRP306B, TRP72E, TYR236B, TYR311B, TYR58E, VAL313B, VAL381B
• B-F: ALA149F, ALA246B, ALA323B, ARG108F, ARG15F, ARG321B, ARG52F, ASN101F, ASN320B, ASN57F, ASP10F, ASP336B, ASP60F, GLN331B, GLN351B, GLN74B, GLU103F, GLU104F, GLU112F, GLU139F, GLU239B, GLU317B, GLU322B, GLU335B, GLU97F, GLY100F, GLY102F, GLY113F, GLY115F, GLY13F, GLY318B, GLY326B, GLY330B, GLY61F, HIS251B, HIS56F, HIS76B, ILE107F, ILE146F, ILE16F, ILE328B, ILE55F, ILE96F, LEU11F, LEU137F, LEU240B, LEU327B, LEU333B, LEU54F, LEU59F, LEU75B, LEU77B, LEU89B, LEU9F, LYS147F, LYS5B, LYS63F, LYS79B, MET319B, MET325B, MET67F, PHE105F, PHE148F, PHE65F, PRO12F, PRO329B, PRO338B, PRO349B, SER2B, SER316B, SER337B, SER95F, SER99F, THR14F, THR237B, THR324B, THR334B, TRP106F, TRP53F, TYR58F, TYR62F, TYR78B, TYR98F, VAL150F, VAL332B, VAL88B
• B-H: ALA246B, ALA250B, ALA50H, ARG321B, ASN24H, ASP273B, ASP42H, GLN127H, GLN43H, GLU322B, GLY128H, GLY47H, ILE40H, LEU275B, LEU38H, MET319B, PRO129H, PRO46H, SER26H, SER44H, THR130H, THR45H, TRP22H, VAL247B, VAL248B
• C-D: ASN346C, ASN346D, ASP312C, ASP312D, ASP336C, ASP336D, ASP348C, ASP348D, ASP353C, ASP353D, ASP354C, ASP354D, ASP357C, ASP3C, ASP3D, GLN347C, GLN347D, GLN351C, GLN351D, GLU335C, GLU335D, GLU356C, GLU356D, GLU359C, GLU377C, GLU377D, GLU378C, GLU378D, GLY373C, GLY373D, LYS345C, LYS345D, LYS372C, LYS372D, LYS374C, LYS374D, LYS376C, LYS376D, LYS379C, LYS379D, LYS4C, LYS4D, LYS5C, LYS5D, PRO338C, PRO338D, PRO349C, PRO349D, SER2C, SER2D, SER337C, SER337D, SER375C, SER375D, THR334C, THR334D, THR344C, THR344D, TRP350C, TRP350D, TYR311C, TYR311D, TYR314C, TYR314D, TYR343C, TYR343D, VAL313C, VAL313D, VAL315C, VAL371C, VAL371D, VAL381C, VAL381D
• C-E: ALA246C, ALA250C, ALA50E, ARG321C, ASN24E, ASP273C, ASP42E, GLN127E, GLN43E, GLN48E, GLU322C, GLY128E, GLY249C, GLY47E, ILE40E, LEU275C, LEU38E, MET319C, PRO129E, PRO46E, SER26E, SER44E, THR130E, THR45E, TRP22E, VAL247C, VAL248C
• C-G: ALA149G, ALA246C, ALA323C, ARG108G, ARG145G, ARG15G, ARG321C, ARG52G, ASN101G, ASN320C, ASN57G, ASP10G, ASP336C, ASP60G, GLN331C, GLN351C, GLN74C, GLU103G, GLU104G, GLU112G, GLU139G, GLU239C, GLU317C, GLU322C, GLU335C, GLU340C, GLU97G, GLY100G, GLY102G, GLY113G, GLY13G, GLY318C, GLY326C, GLY330C, GLY61G, HIS251C, HIS56G, HIS76C, ILE107G, ILE146G, ILE16G, ILE328C, ILE55G, ILE96G, LEU11G, LEU137G, LEU240C, LEU327C, LEU333C, LEU54G, LEU59G, LEU75C, LEU77C, LEU89C, LEU9G, LYS147G, LYS5C, LYS63G, LYS79C, MET319C, MET325C, MET67G, PHE105G, PHE148G, PHE65G, PRO12G, PRO329C, PRO338C, PRO349C, SER2C, SER316C, SER337C, SER95G, SER99G, THR14G, THR237C, THR324C, THR334C, TRP106G, TRP53G, TYR58G, TYR62G, TYR78C, TYR98G, VAL150G, VAL332C, VAL88C
• C-H: ASN235C, ASN310C, ASN384C, ASN57H, ASP312C, ASP60H, ASP88H, CYS92H, GLN307C, GLN90H, GLU112H, GLU377C, GLU86H, GLY61H, GLY89H, HIS388C, LEU240C, LEU59H, LYS234C, LYS376C, LYS63H, LYS93H, MET309C, PHE229C, PHE87H, SER380C, THR233C, THR237C, THR308C, THR91H, TRP238C, TRP306C, TRP72H, TYR236C, TYR311C, TYR58H, VAL313C, VAL381C
• D-F: ALA246D, ALA250D, ALA50F, ARG321D, ASP42F, GLN127F, GLN43F, GLN48F, GLU322D, GLY128F, GLY47F, ILE40F, LEU275D, MET319D, PRO129F, PRO46F, SER26F, SER44F, THR130F, THR45F, TRP22F, VAL247D, VAL248D
• D-G: ASN235D, ASN310D, ASN384D, ASN57G, ASP312D, ASP60G, ASP88G, CYS92G, GLN307D, GLN90G, GLU112G, GLU377D, GLU86G, GLY61G, GLY89G, HIS388D, LEU240D, LEU59G, LYS234D, LYS376D, LYS63G, LYS93G, MET309D, PHE87G, PRO110G, SER380D, THR233D, THR237D, THR308D, THR91G, TRP306D, TRP72G, TYR236D, TYR311D, TYR58G, VAL313D, VAL381D
• D-H: ALA149H, ALA246D, ALA323D, ARG108H, ARG145H, ARG15H, ARG321D, ARG52H, ASN101H, ASN320D, ASN57H, ASP10H, ASP336D, ASP60H, GLN331D, GLN351D, GLN74D, GLU103H, GLU104H, GLU139H, GLU239D, GLU317D, GLU322D, GLU335D, GLU340D, GLU97H, GLY100H, GLY102H, GLY115H, GLY13H, GLY318D, GLY326D, GLY330D, GLY61H, HIS251D, HIS56H, HIS76D, ILE107H, ILE146H, ILE16H, ILE328D, ILE55H, ILE64H, ILE96H, LEU11H, LEU137H, LEU240D, LEU327D, LEU333D, LEU54H, LEU59H, LEU75D, LEU77D, LEU89D, LEU9H, LYS147H, LYS5D, LYS63H, LYS79D, MET319D, MET325D, PHE105H, PHE148H, PHE65H, PRO12H, PRO329D, PRO338D, PRO349D, SER316D, SER337D, SER95H, SER99H, THR14H, THR237D, THR324D, THR334D, TRP106H, TRP53H, TYR58H, TYR62H, TYR78D, TYR98H, VAL150H, VAL332D, VAL88D
• E-F: ASN70E, ASN70F, ASP10E, ASP10F, GLU86E, GLU86F, LEU9E, LEU9F, PHE65E, PHE65F, PHE87E, PHE87F, SER85E, SER85F, TRP72E, TRP72F
• E-G: ALA149E, ALA149G, ALA27E, ALA27G, ALA50E, ALA50G, ARG15E, ARG15G, ARG52E, ARG52G, ASN24E, ASN24G, ASP10E, ASP10G, ASP42E, ASP42G, ASP49E, ASP49G, ASP51E, ASP51G, GLN43E, GLN43G, GLN48E, GLN48G, GLU103G, GLY13E, GLY13G, GLY47E, GLY47G, GLY68E, GLY68G, LEU11E, LEU11G, LEU17E, LEU17G, LEU54E, LEU54G, LEU9E, LEU9G, LYS147G, MET67E, MET67G, PHE148G, PHE65G, PRO12E, PRO12G, PRO46E, PRO46G, SER26E, SER26G, SER44E, SER44G, SER69E, SER69G, THR14E, THR14G, THR28E, THR28G, THR45E, THR45G, TRP22E, TRP22G, VAL150E, VAL150G
• E-H: GLU86E, GLU86H, SER85E, SER85H, THR28E, THR28H
• F-G: GLU86F, GLU86G, SER85F, SER85G, THR28F, THR28G
• F-H: ALA149F, ALA149H, ALA27F, ALA27H, ALA50F, ALA50H, ARG15F, ARG15H, ARG52F, ARG52H, ASN24F, ASN24H, ASP10F, ASP10H, ASP49F, ASP49H, ASP51F, ASP51H, GLN43F, GLN43H, GLN48F, GLN48H, GLY13F, GLY13H, GLY47F, GLY47H, GLY68F, GLY68H, LEU11F, LEU11H, LEU17F, LEU17H, LEU54F, LEU54H, LEU9F, LEU9H, MET67F, MET67H, PRO12F, PRO12H, PRO46F, PRO46H, SER26F, SER26H, SER44F, SER44H, SER69F, SER69H, THR14F, THR14H, THR45F, THR45H, TRP22F, TRP22H, VAL150F, VAL150H
• G-H: ASN70G, ASN70H, ASP10G, ASP10H, GLU86G, GLU86H, LEU9G, LEU9H, PHE65G, PHE65H, PHE87G, PHE87H, SER85G, SER85H, TRP72G, TRP72H