2Z0B

crystal structure of cbm20 domain of human putative glycerophosphodiester phosphodiesterase 5 (kiaa1434)

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 59
  • Norm. En. per Res.: -2.9973
• Hub Node: A(5)

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	-22.9688	0.0	-64.6527	-87.6215	51	2	1	3148	0	1	4
A-C	0.0	0.0	-0.1656	-0.1656	10	0	0	43	0	3	1
A-D	0.0	0.0	-0.1108	-0.1108	5	0	0	40	0	0	0
A-E	0.0	0.0	-75.4611	-75.4611	45	3	0	3201	0	8	3
A-F	0.0	-1.6217	-83.3033	-84.9249	33	0	1	3229	0	6	9
B-C	-26.0171	27.8357	-172.021	-170.2024	61	4	6	6930	0	11	9
B-F	-13.0512	0.0	-74.6946	-87.7458	45	5	0	3204	0	8	3
C-F	0.0	0.0	-0.0764	-0.0764	3	0	0	30	0	0	0
D-E	-34.5142	24.8772	-167.205	-176.8421	59	8	6	6949	0	11	8
D-F	0.0	0.0	-0.436	-0.436	10	0	0	56	0	2	1
E-F	-21.0941	0.0	-70.7508	-91.8449	53	2	0	3362	0	1	4

Interface residues

• A-B: ALA12B, ALA33B, ALA42B, ALA44B, ALA59B, ASN38A, ASN38B, ASN41B, ASP32B, CYS28A, CYS88B, GLN10B, GLN40A, GLN40B, GLN89A, GLU80B, GLY35B, GLY76A, GLY85B, GLY86B, HIS93A, ILE27B, ILE61B, ILE84B, ILE91A, LEU34B, LEU45B, LEU46B, LEU79A, LYS58B, LYS82A, LYS94A, PHE74A, PHE78B, PRO39A, PRO39B, PRO81A, PRO81B, PRO87B, THR60B, THR83A, THR83B, TRP37A, TRP95A, TYR77A, VAL11B, VAL43B, VAL62B, VAL90A, VAL90B, VAL92A
• A-C: ASN49C, ASP50C, GLN40A, GLU48C, GLU80C, HIS98A, ILE84C, LYS94A, THR83A, TRP95A
• A-D: ARG16A, GLN117A, PRO21D, SER54A, TYR77D
• A-E: ALA42E, ARG72E, ASN36E, ASN38E, ASN41E, ASN49A, ASP32E, ASP50A, CYS28E, GLN40E, GLN89E, GLU23A, GLU48A, GLU53A, GLY17A, GLY22A, GLY29E, GLY35E, GLY52A, GLY76E, GLY86E, HIS93E, ILE91E, LEU19A, LEU20A, LEU46A, LEU56A, LYS82E, LYS94E, PHE25A, PHE74E, PRO21A, PRO39E, PRO47A, PRO87E, SER54A, THR18A, THR51A, TRP37E, TRP57A, TRP95E, TYR77E, VAL24A, VAL90E, VAL92E
• A-F: GLN89A, GLN89F, GLU23A, GLU23F, GLY22A, GLY22F, GLY76A, GLY76F, HIS93A, HIS93F, ILE91A, ILE91F, LEU19A, LEU19F, LEU20A, LEU20F, LEU79A, LEU79F, LYS75A, LYS75F, LYS82A, LYS94A, LYS94F, PHE78A, PHE78F, PRO21A, PRO21F, TYR77A, TYR77F, VAL90A, VAL90F, VAL92A, VAL92F
• B-C: ALA44B, ALA44C, ASN49C, CYS88B, CYS88C, GLN40B, GLN89B, GLN89C, GLU23B, GLU23C, GLU48B, GLU48C, GLU80B, GLU80C, GLY22B, GLY22C, GLY76B, GLY76C, GLY85B, GLY86B, HIS93B, HIS93C, ILE84B, ILE84C, ILE91B, ILE91C, LEU19B, LEU19C, LEU20B, LEU20C, LEU45B, LEU45C, LEU46B, LEU46C, LEU79B, LEU79C, LYS82B, LYS82C, PHE25B, PHE25C, PHE78B, PHE78C, PRO21B, PRO21C, PRO47B, PRO47C, PRO81B, PRO81C, PRO87B, PRO87C, SER54B, THR83B, THR83C, TRP57B, TRP57C, TYR77B, TYR77C, VAL24B, VAL24C, VAL90B, VAL90C
• B-F: ALA42B, ARG72B, ASN36B, ASN38B, ASN41B, ASN49F, ASP32B, ASP50F, CYS28B, GLN40B, GLN89B, GLU23F, GLU48F, GLU53F, GLY17F, GLY22F, GLY29B, GLY35B, GLY52F, GLY76B, GLY86B, HIS93B, ILE91B, LEU19F, LEU20F, LEU46F, LEU56F, LYS82B, LYS94B, PHE25F, PHE74B, PRO21F, PRO39B, PRO47F, PRO87B, SER54F, THR18F, THR51F, TRP37B, TRP57F, TRP95B, TYR77B, VAL24F, VAL90B, VAL92B
• C-F: GLN117F, PRO21C, SER54F
• D-E: ALA44D, ALA44E, ASN49E, CYS88D, CYS88E, GLN40E, GLN89D, GLN89E, GLU23D, GLU23E, GLU48D, GLU48E, GLU80D, GLU80E, GLY22D, GLY22E, GLY76D, GLY76E, HIS93D, HIS93E, ILE84D, ILE84E, ILE91D, ILE91E, LEU19D, LEU19E, LEU20D, LEU20E, LEU45D, LEU45E, LEU46D, LEU46E, LEU79D, LEU79E, LYS82D, LYS82E, PHE25D, PHE25E, PHE78D, PHE78E, PRO21D, PRO21E, PRO47D, PRO47E, PRO81D, PRO81E, PRO87D, PRO87E, THR83D, THR83E, TRP57D, TRP57E, TYR77D, TYR77E, VAL24D, VAL24E, VAL90D, VAL90E, VAL92E
• D-F: ASN49D, ASP50D, GLN40F, GLN89F, GLU48D, GLU80D, ILE84D, LEU99F, THR83F, THR97F
• E-F: ALA26E, ALA33E, ALA42E, ALA44E, ALA59E, ARG72F, ASN36F, ASN38E, ASN38F, ASN41E, ASP32E, CYS28F, CYS88E, GLN40E, GLN40F, GLN89F, GLU80E, GLY35E, GLY76F, GLY85E, GLY86E, HIS93F, ILE27E, ILE61E, ILE84E, ILE91F, LEU34E, LEU45E, LEU46E, LEU79F, LYS58E, LYS82F, LYS94F, PHE13E, PHE74F, PHE78E, PRO39E, PRO39F, PRO81E, PRO81F, PRO87E, THR60E, THR83E, THR83F, TRP37F, TRP95F, TYR77F, VAL11E, VAL43E, VAL62E, VAL90E, VAL90F, VAL92F